GET /third-parties/MatprojStructure/?format=api&ordering=-energy&page=12180
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=12181",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=12179",
    "results": [
        {
            "id": "mp-1202468",
            "created_at": "2022-09-04T14:42:23.678909Z",
            "structure_string": "U4 P8 H144 C48 Br8 N24 O16\n1.0\n10.825770 0.000000 0.000000\n0.000000 10.825770 0.000000\n0.000000 -0.000000 24.987677\nU P H C Br N O\n4 8 144 48 8 24 16\ndirect\n0.523846 0.476154 0.750000 U\n0.476154 0.523846 0.250000 U\n0.976154 0.976154 0.500000 U\n0.023846 0.023846 -0.000000 U\n0.282883 0.215739 0.762747 P\n0.717117 0.784261 0.262747 P\n0.715739 0.217117 0.512747 P\n0.284261 0.782883 0.012747 P\n0.784261 0.717117 0.737253 P\n0.215739 0.282883 0.237253 P\n0.217117 0.715739 0.487253 P\n0.782883 0.284261 0.987253 P\n0.239074 0.359679 0.675175 H\n0.760926 0.640321 0.175175 H\n0.859679 0.260926 0.425175 H\n0.140321 0.739074 0.925175 H\n0.640321 0.760926 0.824825 H\n0.359679 0.239074 0.324825 H\n0.260926 0.859679 0.574825 H\n0.739074 0.140321 0.074825 H\n0.091107 0.287519 0.667641 H\n0.908893 0.712481 0.167641 H\n0.787519 0.408893 0.417641 H\n0.212481 0.591107 0.917641 H\n0.712481 0.908893 0.832359 H\n0.287519 0.091107 0.332359 H\n0.408893 0.787519 0.582359 H\n0.591107 0.212481 0.082359 H\n0.215521 0.244827 0.624779 H\n0.784479 0.755173 0.124779 H\n0.744827 0.284479 0.374779 H\n0.255173 0.715521 0.874779 H\n0.755173 0.784479 0.875221 H\n0.244827 0.215521 0.375221 H\n0.284479 0.744827 0.625221 H\n0.715521 0.255173 0.125221 H\n0.222819 0.983319 0.716733 H\n0.777181 0.016681 0.216733 H\n0.483319 0.277181 0.466733 H\n0.516681 0.722819 0.966733 H\n0.016681 0.777181 0.783267 H\n0.983319 0.222819 0.283267 H\n0.277181 0.483319 0.533267 H\n0.722819 0.516681 0.033267 H\n0.236957 0.029246 0.648299 H\n0.763043 0.970754 0.148299 H\n0.529246 0.263043 0.398299 H\n0.470754 0.736957 0.898299 H\n0.970754 0.763043 0.851701 H\n0.029246 0.236957 0.351701 H\n0.263043 0.529246 0.601701 H\n0.736957 0.470754 0.101701 H\n0.093056 0.045433 0.681403 H\n0.906944 0.954567 0.181403 H\n0.545433 0.406944 0.431403 H\n0.454567 0.593056 0.931403 H\n0.954567 0.906944 0.818597 H\n0.045433 0.093056 0.318597 H\n0.406944 0.545433 0.568597 H\n0.593056 0.454567 0.068597 H\n0.282941 0.385515 0.844114 H\n0.717059 0.614485 0.344114 H\n0.885515 0.217059 0.594114 H\n0.114485 0.782941 0.094114 H\n0.614485 0.717059 0.655886 H\n0.385515 0.282941 0.155886 H\n0.217059 0.885515 0.405886 H\n0.782941 0.114485 0.905886 H\n0.178009 0.299004 0.884942 H\n0.821991 0.700996 0.384942 H\n0.799004 0.321991 0.634942 H\n0.200996 0.678009 0.134942 H\n0.700996 0.821991 0.615058 H\n0.299004 0.178009 0.115058 H\n0.321991 0.799004 0.365058 H\n0.678009 0.200996 0.865058 H\n0.122838 0.422847 0.843654 H\n0.877162 0.577153 0.343654 H\n0.922847 0.377162 0.593654 H\n0.077153 0.622838 0.093654 H\n0.577153 0.877162 0.656346 H\n0.422847 0.122838 0.156346 H\n0.377162 0.922847 0.406346 H\n0.622838 0.077153 0.906346 H\n0.036688 0.141909 0.766943 H\n0.963312 0.858091 0.266943 H\n0.641909 0.463312 0.516943 H\n0.358091 0.536688 0.016943 H\n0.858091 0.963312 0.733057 H\n0.141909 0.036688 0.233057 H\n0.463312 0.641909 0.483057 H\n0.536688 0.358091 0.983057 H\n0.975720 0.279618 0.795102 H\n0.024280 0.720382 0.295102 H\n0.779618 0.524280 0.545102 H\n0.220382 0.475720 0.045102 H\n0.720382 0.024280 0.704898 H\n0.279618 0.975720 0.204898 H\n0.524280 0.779618 0.454898 H\n0.475720 0.220382 0.954898 H\n0.026404 0.157435 0.837938 H\n0.973596 0.842565 0.337938 H\n0.657435 0.473596 0.587938 H\n0.342565 0.526404 0.087938 H\n0.842565 0.973596 0.662062 H\n0.157435 0.026404 0.162062 H\n0.473596 0.657435 0.412062 H\n0.526404 0.342565 0.912062 H\n0.472814 0.080801 0.724481 H\n0.527186 0.919199 0.224481 H\n0.580801 0.027186 0.474481 H\n0.419199 0.972814 0.974481 H\n0.919199 0.527186 0.775519 H\n0.080801 0.472814 0.275519 H\n0.027186 0.580801 0.525519 H\n0.972814 0.419199 0.025519 H\n0.449126 0.938650 0.759611 H\n0.550874 0.061350 0.259611 H\n0.438650 0.050874 0.509611 H\n0.561350 0.949126 0.009611 H\n0.061350 0.550874 0.740389 H\n0.938650 0.449126 0.240389 H\n0.050874 0.438650 0.490389 H\n0.949126 0.561350 0.990389 H\n0.537622 0.061698 0.789189 H\n0.462378 0.938302 0.289189 H\n0.561698 0.962378 0.539189 H\n0.438302 0.037622 0.039189 H\n0.938302 0.462378 0.710811 H\n0.061698 0.537622 0.210811 H\n0.962378 0.561698 0.460811 H\n0.037622 0.438302 0.960811 H\n0.220932 0.066725 0.853285 H\n0.779068 0.933275 0.353285 H\n0.566725 0.279068 0.603285 H\n0.433275 0.720932 0.103285 H\n0.933275 0.779068 0.646715 H\n0.066725 0.220932 0.146715 H\n0.279068 0.566725 0.396715 H\n0.720932 0.433275 0.896715 H\n0.380225 0.050014 0.869442 H\n0.619775 0.949986 0.369442 H\n0.550014 0.119775 0.619442 H\n0.449986 0.880225 0.119442 H\n0.949986 0.619775 0.630558 H\n0.050014 0.380225 0.130558 H\n0.119775 0.550014 0.380558 H\n0.880225 0.449986 0.880558 H\n0.301899 0.931798 0.832790 H\n0.698101 0.068202 0.332790 H\n0.431798 0.198101 0.582790 H\n0.568202 0.801899 0.082790 H\n0.068202 0.698101 0.667210 H\n0.931798 0.301899 0.167210 H\n0.198101 0.431798 0.417210 H\n0.801899 0.568202 0.917210 H\n0.191977 0.272759 0.665871 C\n0.808023 0.727241 0.165871 C\n0.772759 0.308023 0.415871 C\n0.227241 0.691977 0.915871 C\n0.727241 0.808023 0.834129 C\n0.272759 0.191977 0.334129 C\n0.308023 0.772759 0.584129 C\n0.691977 0.227241 0.084129 C\n0.194010 0.051809 0.687019 C\n0.805990 0.948191 0.187019 C\n0.551809 0.305990 0.437019 C\n0.448191 0.694010 0.937019 C\n0.948191 0.805990 0.812981 C\n0.051809 0.194010 0.312981 C\n0.305990 0.551809 0.562981 C\n0.694010 0.448191 0.062981 C\n0.189841 0.346329 0.846188 C\n0.810159 0.653671 0.346188 C\n0.846329 0.310159 0.596188 C\n0.153671 0.689841 0.096188 C\n0.653671 0.810159 0.653812 C\n0.346329 0.189841 0.153812 C\n0.310159 0.846329 0.403812 C\n0.689841 0.153671 0.903812 C\n0.045991 0.207032 0.800294 C\n0.954009 0.792968 0.300294 C\n0.707032 0.454009 0.550294 C\n0.292968 0.545991 0.050294 C\n0.792968 0.954009 0.699706 C\n0.207032 0.045991 0.199706 C\n0.454009 0.707032 0.449706 C\n0.545991 0.292968 0.949706 C\n0.457091 0.039678 0.763926 C\n0.542909 0.960322 0.263926 C\n0.539678 0.042909 0.513926 C\n0.460322 0.957091 0.013926 C\n0.960322 0.542909 0.736074 C\n0.039678 0.457091 0.236074 C\n0.042909 0.539678 0.486074 C\n0.957091 0.460322 0.986074 C\n0.309643 0.032485 0.838464 C\n0.690357 0.967515 0.338464 C\n0.532485 0.190357 0.588464 C\n0.467515 0.809643 0.088464 C\n0.967515 0.690357 0.661536 C\n0.032485 0.309643 0.161536 C\n0.190357 0.532485 0.411536 C\n0.809643 0.467515 0.911536 C\n0.709395 0.290605 0.750000 Br\n0.290605 0.709395 0.250000 Br\n0.790605 0.790605 0.500000 Br\n0.209395 0.209395 -0.000000 Br\n0.336951 0.663049 0.750000 Br\n0.663049 0.336951 0.250000 Br\n0.163049 0.163049 0.500000 Br\n0.836951 0.836951 -0.000000 Br\n0.230956 0.176102 0.703141 N\n0.769044 0.823898 0.203141 N\n0.676102 0.269044 0.453141 N\n0.323898 0.730956 0.953141 N\n0.823898 0.769044 0.796859 N\n0.176102 0.230956 0.296859 N\n0.269044 0.676102 0.546859 N\n0.730956 0.323898 0.046859 N\n0.169064 0.262038 0.801445 N\n0.830936 0.737962 0.301445 N\n0.762038 0.330936 0.551445 N\n0.237962 0.669064 0.051445 N\n0.737962 0.830936 0.698555 N\n0.262038 0.169064 0.198555 N\n0.330936 0.762038 0.448555 N\n0.669064 0.237962 0.948555 N\n0.344118 0.088997 0.787719 N\n0.655882 0.911003 0.287719 N\n0.588997 0.155882 0.537719 N\n0.411003 0.844118 0.037719 N\n0.911003 0.655882 0.712281 N\n0.088997 0.344118 0.212281 N\n0.155882 0.588997 0.462281 N\n0.844118 0.411003 0.962281 N\n0.375111 0.321642 0.757182 O\n0.624889 0.678358 0.257182 O\n0.821642 0.124889 0.507182 O\n0.178358 0.875111 0.007182 O\n0.678358 0.624889 0.742818 O\n0.321642 0.375111 0.242818 O\n0.124889 0.821642 0.492818 O\n0.875111 0.178358 0.992818 O\n0.515250 0.468710 0.677673 O\n0.484750 0.531290 0.177673 O\n0.968710 0.984750 0.427673 O\n0.031290 0.015250 0.927673 O\n0.531290 0.484750 0.822327 O\n0.468710 0.515250 0.322327 O\n0.984750 0.968710 0.572327 O\n0.015250 0.031290 0.072327 O\n",
            "nsites": 252,
            "nelements": 7,
            "elements": [
                "U",
                "P",
                "H",
                "C",
                "Br",
                "N",
                "O"
            ],
            "chemical_system": "Br-C-H-N-O-P-U",
            "density": 1.7878132037083094,
            "density_atomic": 0.08605122660809972,
            "volume": 2928.4881800427474,
            "volume_molar": 6.99832064849748,
            "formula_full": "U4 P8 H144 C48 Br8 N24 O16",
            "formula_reduced": "UP2H36C12Br2(N3O2)2",
            "formula_anonymous": "AB2C2D4E6F12G36",
            "energy": -1442.67608779,
            "energy_per_atom": -5.724905110277779,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1418.74808779,
            "band_gap": 1.5625,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0004275,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:46.591000Z",
            "spacegroup": 92
        },
        {
            "id": "mp-1198567",
            "created_at": "2022-09-04T14:46:15.504823Z",
            "structure_string": "Sr25 Ti39 O103\n1.0\n-5.640651 0.024784 0.000000\n0.000000 0.000000 -19.603594\n0.133172 -30.066019 0.000000\nSr Ti O\n25 39 103\ndirect\n0.505055 -0.000000 0.189972 Sr\n0.494945 -0.000000 0.810028 Sr\n0.509582 0.795364 0.188742 Sr\n0.509582 0.204636 0.188742 Sr\n0.490418 0.204636 0.811258 Sr\n0.490418 0.795364 0.811258 Sr\n0.493309 0.597380 0.194328 Sr\n0.493309 0.402620 0.194328 Sr\n0.506691 0.402620 0.805672 Sr\n0.506691 0.597380 0.805672 Sr\n0.000915 -0.000000 0.094460 Sr\n0.999085 -0.000000 0.905540 Sr\n0.002281 0.803389 0.091830 Sr\n0.002281 0.196611 0.091830 Sr\n0.997719 0.196611 0.908170 Sr\n0.997719 0.803389 0.908170 Sr\n-0.000137 0.600908 0.089223 Sr\n-0.000137 0.399092 0.089223 Sr\n0.000137 0.399092 0.910777 Sr\n0.000137 0.600908 0.910777 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.500000 0.802603 -0.000000 Sr\n0.500000 0.197397 -0.000000 Sr\n0.500000 0.600698 -0.000000 Sr\n0.500000 0.399302 -0.000000 Sr\n0.345945 0.912406 0.288736 Ti\n0.345945 0.087594 0.288736 Ti\n0.654055 0.087594 0.711264 Ti\n0.654055 0.912406 0.711264 Ti\n0.846912 0.844201 0.295066 Ti\n0.846912 0.155799 0.295066 Ti\n0.153088 0.155799 0.704934 Ti\n0.153088 0.844201 0.704934 Ti\n0.976579 0.676816 0.272133 Ti\n0.976579 0.323184 0.272133 Ti\n0.023421 0.323184 0.727867 Ti\n0.023421 0.676816 0.727867 Ti\n0.983086 0.500000 0.271406 Ti\n0.016914 0.500000 0.728594 Ti\n0.004787 0.898121 0.187189 Ti\n0.004787 0.101879 0.187189 Ti\n0.995213 0.101879 0.812811 Ti\n0.995213 0.898121 0.812811 Ti\n0.015784 0.698621 0.178861 Ti\n0.015784 0.301379 0.178861 Ti\n0.984216 0.301379 0.821139 Ti\n0.984216 0.698621 0.821139 Ti\n0.011366 0.500000 0.177020 Ti\n0.988634 0.500000 0.822979 Ti\n0.499536 0.900399 0.094312 Ti\n0.499536 0.099601 0.094312 Ti\n0.500463 0.099601 0.905688 Ti\n0.500463 0.900399 0.905688 Ti\n0.503568 0.699008 0.092020 Ti\n0.503568 0.300992 0.092020 Ti\n0.496432 0.300992 0.907980 Ti\n0.496432 0.699008 0.907980 Ti\n0.504221 0.500000 0.091523 Ti\n0.495779 0.500000 0.908477 Ti\n-0.000000 0.900936 -0.000000 Ti\n-0.000000 0.099064 -0.000000 Ti\n-0.000000 0.702322 -0.000000 Ti\n-0.000000 0.297678 -0.000000 Ti\n-0.000000 0.500000 -0.000000 Ti\n0.462086 -0.000000 0.282700 O\n0.537914 -0.000000 0.717300 O\n0.065913 0.904806 0.317417 O\n0.065913 0.095194 0.317417 O\n0.934087 0.095194 0.682583 O\n0.934087 0.904806 0.682583 O\n0.553109 0.855974 0.318280 O\n0.553109 0.144026 0.318280 O\n0.446891 0.144026 0.681720 O\n0.446891 0.855974 0.681720 O\n0.945983 0.756083 0.304728 O\n0.945983 0.243917 0.304728 O\n0.054017 0.243917 0.695272 O\n0.054017 0.756083 0.695272 O\n0.965089 0.588119 0.295713 O\n0.965089 0.411881 0.295713 O\n0.034911 0.411881 0.704287 O\n0.034911 0.588119 0.704287 O\n0.286096 0.889876 0.230781 O\n0.286096 0.110124 0.230781 O\n0.713904 0.110124 0.769219 O\n0.713904 0.889876 0.769219 O\n0.791895 0.872525 0.237374 O\n0.791895 0.127475 0.237374 O\n0.208105 0.127475 0.762626 O\n0.208105 0.872525 0.762626 O\n0.225349 0.687987 0.235194 O\n0.225349 0.312013 0.235194 O\n0.774651 0.312013 0.764806 O\n0.774651 0.687987 0.764806 O\n0.761217 0.690377 0.226516 O\n0.761217 0.309623 0.226516 O\n0.238783 0.309623 0.773484 O\n0.238783 0.690377 0.773484 O\n0.230718 0.500000 0.233708 O\n0.769282 0.500000 0.766292 O\n0.763831 0.500000 0.226027 O\n0.236169 0.500000 0.773973 O\n0.992291 -0.000000 0.192876 O\n0.007709 -0.000000 0.807124 O\n0.029499 0.796811 0.178154 O\n0.029499 0.203189 0.178154 O\n0.970501 0.203189 0.821846 O\n0.970501 0.796811 0.821846 O\n0.014707 0.597921 0.174825 O\n0.014707 0.402079 0.174825 O\n0.985293 0.402079 0.825175 O\n0.985293 0.597921 0.825175 O\n0.245513 0.906835 0.139775 O\n0.245513 0.093165 0.139775 O\n0.754487 0.093165 0.860225 O\n0.754487 0.906835 0.860225 O\n0.744500 0.901397 0.145099 O\n0.744500 0.098603 0.145099 O\n0.255500 0.098603 0.854901 O\n0.255500 0.901397 0.854901 O\n0.307379 0.695785 0.144631 O\n0.307379 0.304215 0.144631 O\n0.692621 0.304215 0.855369 O\n0.692621 0.695785 0.855369 O\n0.790470 0.701240 0.131375 O\n0.790470 0.298760 0.131375 O\n0.209530 0.298760 0.868625 O\n0.209530 0.701240 0.868625 O\n0.308896 0.500000 0.143404 O\n0.691104 0.500000 0.856596 O\n0.788836 0.500000 0.129554 O\n0.211164 0.500000 0.870446 O\n0.515291 -0.000000 0.092799 O\n0.484709 -0.000000 0.907201 O\n0.498650 0.802143 0.095270 O\n0.498650 0.197857 0.095270 O\n0.501350 0.197857 0.904730 O\n0.501350 0.802143 0.904730 O\n0.507874 0.600804 0.088343 O\n0.507874 0.399196 0.088343 O\n0.492126 0.399196 0.911657 O\n0.492126 0.600804 0.911657 O\n0.259574 0.901268 0.045755 O\n0.259574 0.098732 0.045755 O\n0.740426 0.098732 0.954245 O\n0.740426 0.901268 0.954245 O\n0.760769 0.899766 0.048800 O\n0.760769 0.100234 0.048800 O\n0.239231 0.100234 0.951200 O\n0.239231 0.899766 0.951200 O\n0.226491 0.703333 0.051418 O\n0.226491 0.296667 0.051418 O\n0.773509 0.296667 0.948582 O\n0.773509 0.703333 0.948582 O\n0.726541 0.703803 0.040878 O\n0.726541 0.296197 0.040878 O\n0.273459 0.296197 0.959122 O\n0.273459 0.703803 0.959122 O\n0.226906 0.500000 0.050645 O\n0.773094 0.500000 0.949355 O\n0.730037 0.500000 0.040233 O\n0.269963 0.500000 0.959767 O\n-0.000000 -0.000000 -0.000000 O\n-0.000000 0.802038 -0.000000 O\n-0.000000 0.197962 -0.000000 O\n-0.000000 0.601975 -0.000000 O\n-0.000000 0.398025 -0.000000 O\n",
            "nsites": 167,
            "nelements": 3,
            "elements": [
                "Sr",
                "Ti",
                "O"
            ],
            "chemical_system": "O-Sr-Ti",
            "density": 2.849649615977124,
            "density_atomic": 0.05023241597800492,
            "volume": 3324.546445727867,
            "volume_molar": 11.988554885826899,
            "formula_full": "Sr25 Ti39 O103",
            "formula_reduced": "Sr25Ti39O103",
            "formula_anonymous": "A25B39C103",
            "energy": -1443.98467756,
            "energy_per_atom": -8.646614835688622,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1373.22367756,
            "band_gap": 1.9422,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005795,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:28.173000Z",
            "spacegroup": 10
        },
        {
            "id": "mp-1204279",
            "created_at": "2022-09-04T14:41:35.251203Z",
            "structure_string": "Si16 Te8 H176 Pd8 C64 Cl16\n1.0\n13.097466 -0.031149 0.460921\n-0.049164 13.319476 1.498432\n-0.050004 0.079834 23.265264\nSi Te H Pd C Cl\n16 8 176 8 64 16\ndirect\n0.242571 0.355132 0.346160 Si\n0.757429 0.644868 0.653840 Si\n0.185063 0.419414 0.629166 Si\n0.814936 0.580586 0.370834 Si\n0.301514 0.913499 0.630720 Si\n0.698486 0.086501 0.369280 Si\n0.078792 0.828914 0.852093 Si\n0.921208 0.171086 0.147907 Si\n0.582868 0.725438 0.876325 Si\n0.417132 0.274562 0.123675 Si\n0.248973 0.887719 0.346266 Si\n0.751027 0.112281 0.653734 Si\n0.115593 0.708607 0.139446 Si\n0.884407 0.291393 0.860554 Si\n0.631520 0.703532 0.164355 Si\n0.368480 0.296468 0.835645 Si\n0.266448 0.846072 0.494085 Te\n0.733552 0.153928 0.505915 Te\n0.236692 0.339877 0.495604 Te\n0.763308 0.660123 0.504396 Te\n0.653469 0.736660 0.016282 Te\n0.346531 0.263340 0.983718 Te\n0.153727 0.762299 0.991695 Te\n0.846273 0.237701 0.008305 Te\n0.325817 0.018215 0.534044 H\n0.674183 0.981785 0.465956 H\n0.421514 0.923354 0.543592 H\n0.578486 0.076646 0.456408 H\n0.392194 0.927151 0.409851 H\n0.607806 0.072849 0.590149 H\n0.286950 0.010978 0.416804 H\n0.713050 0.989022 0.583196 H\n0.075747 0.422399 0.541978 H\n0.924253 0.577601 0.458022 H\n0.173894 0.516248 0.530098 H\n0.826106 0.483752 0.469902 H\n0.235449 0.493663 0.410896 H\n0.764551 0.506337 0.589104 H\n0.117092 0.425563 0.414578 H\n0.882908 0.574437 0.585422 H\n0.556613 0.602453 0.091706 H\n0.443387 0.397547 0.908294 H\n0.491742 0.720080 0.091039 H\n0.508258 0.279920 0.908961 H\n0.475084 0.696209 0.968738 H\n0.524916 0.303791 0.031262 H\n0.564717 0.596846 0.963656 H\n0.435283 0.403154 0.036344 H\n0.992614 0.781798 0.064220 H\n0.007386 0.218202 0.935780 H\n0.091965 0.869387 0.074712 H\n0.908035 0.130613 0.925288 H\n0.053903 0.917604 0.940897 H\n0.946097 0.082396 0.059103 H\n0.971837 0.810199 0.945261 H\n0.028163 0.189801 0.054739 H\n0.388193 0.956155 0.275651 H\n0.611807 0.043845 0.724349 H\n0.269556 0.949002 0.241316 H\n0.730444 0.050998 0.758684 H\n0.292117 0.047486 0.284224 H\n0.707883 0.952514 0.715776 H\n0.361823 0.737940 0.339625 H\n0.638177 0.262060 0.660375 H\n0.247898 0.703401 0.380418 H\n0.752102 0.296599 0.619582 H\n0.245181 0.726339 0.303864 H\n0.754819 0.273661 0.696136 H\n0.088800 0.986485 0.351311 H\n0.911200 0.013515 0.648689 H\n0.071499 0.881763 0.311980 H\n0.928501 0.118237 0.688020 H\n0.071696 0.864743 0.388991 H\n0.928304 0.135257 0.611009 H\n0.241993 0.734918 0.632477 H\n0.758007 0.265082 0.367523 H\n0.374743 0.740207 0.646401 H\n0.625257 0.259793 0.353599 H\n0.282366 0.760412 0.701271 H\n0.717634 0.239588 0.298729 H\n0.171162 0.049075 0.630336 H\n0.828838 0.950925 0.369664 H\n0.113044 0.932427 0.621512 H\n0.886956 0.067573 0.378488 H\n0.151869 0.957048 0.691111 H\n0.848131 0.042952 0.308889 H\n0.405574 0.056572 0.657752 H\n0.594426 0.943428 0.342248 H\n0.382230 0.964455 0.718293 H\n0.617770 0.035545 0.281707 H\n0.476775 0.942967 0.664654 H\n0.523225 0.057033 0.335346 H\n0.318344 0.553608 0.625004 H\n0.681656 0.446392 0.374996 H\n0.330029 0.465140 0.687552 H\n0.669971 0.534860 0.312448 H\n0.374269 0.434715 0.618616 H\n0.625731 0.565285 0.381384 H\n0.006483 0.454474 0.662485 H\n0.993517 0.545526 0.337515 H\n0.095816 0.480360 0.714737 H\n0.904184 0.519640 0.285263 H\n0.080737 0.566889 0.651665 H\n0.919263 0.433111 0.348335 H\n0.106876 0.247392 0.651819 H\n0.893124 0.752608 0.348181 H\n0.239182 0.239893 0.632549 H\n0.760818 0.760107 0.367451 H\n0.200730 0.269860 0.702136 H\n0.799270 0.730140 0.297864 H\n0.175704 0.493317 0.276450 H\n0.824296 0.506683 0.723550 H\n0.306545 0.514605 0.289814 H\n0.693455 0.485395 0.710186 H\n0.272209 0.424828 0.243037 H\n0.727791 0.575172 0.756963 H\n0.070447 0.293087 0.324125 H\n0.929553 0.706913 0.675875 H\n0.168527 0.224092 0.292420 H\n0.831473 0.775908 0.707580 H\n0.135915 0.198137 0.367603 H\n0.864085 0.801863 0.632397 H\n0.371618 0.234824 0.392054 H\n0.628382 0.765176 0.607946 H\n0.397853 0.265098 0.316690 H\n0.602147 0.734902 0.683310 H\n0.428908 0.352025 0.365834 H\n0.571092 0.647975 0.634166 H\n0.720239 0.537162 0.176882 H\n0.279761 0.462838 0.823118 H\n0.799102 0.629893 0.136959 H\n0.200898 0.370107 0.863041 H\n0.783383 0.628152 0.213195 H\n0.216617 0.371848 0.786805 H\n0.509744 0.595089 0.229618 H\n0.490256 0.404911 0.770382 H\n0.567403 0.687540 0.267057 H\n0.432597 0.312460 0.732943 H\n0.466893 0.721566 0.219436 H\n0.533107 0.278434 0.780564 H\n0.729011 0.859372 0.125096 H\n0.270989 0.140628 0.874904 H\n0.614172 0.890451 0.161343 H\n0.385828 0.109549 0.838657 H\n0.720291 0.844537 0.201980 H\n0.279709 0.155463 0.798020 H\n0.741202 0.745478 0.814289 H\n0.258798 0.254522 0.185711 H\n0.768809 0.763951 0.886365 H\n0.231191 0.236049 0.113635 H\n0.751771 0.640172 0.867713 H\n0.248229 0.359828 0.132287 H\n0.525450 0.663373 0.785594 H\n0.474550 0.336627 0.214406 H\n0.542436 0.561712 0.840475 H\n0.457564 0.438288 0.159525 H\n0.431245 0.637458 0.842246 H\n0.568755 0.362542 0.157754 H\n0.555841 0.886069 0.813776 H\n0.444159 0.113931 0.186224 H\n0.454773 0.863675 0.866894 H\n0.545227 0.136325 0.133106 H\n0.574617 0.908454 0.886542 H\n0.425383 0.091546 0.113458 H\n0.968157 0.754929 0.201828 H\n0.031843 0.245071 0.798172 H\n0.072554 0.708497 0.243272 H\n0.927446 0.291503 0.756728 H\n0.074682 0.834686 0.209618 H\n0.925318 0.165314 0.790382 H\n0.102294 0.534682 0.106968 H\n0.897706 0.465318 0.893032 H\n0.089568 0.533366 0.183517 H\n0.910432 0.466634 0.816483 H\n0.986914 0.573927 0.138812 H\n0.013086 0.426073 0.861188 H\n0.301073 0.691358 0.109656 H\n0.698927 0.308642 0.890344 H\n0.278942 0.801269 0.144026 H\n0.721058 0.198731 0.855974 H\n0.283060 0.681792 0.186058 H\n0.716940 0.318208 0.813942 H\n0.006383 0.997536 0.818242 H\n0.993617 0.002464 0.181758 H\n0.004048 0.916474 0.763002 H\n0.995952 0.083526 0.236998 H\n0.911384 0.901935 0.820863 H\n0.088616 0.098065 0.179137 H\n0.233901 0.940749 0.843416 H\n0.766099 0.059251 0.156584 H\n0.268531 0.812386 0.858436 H\n0.731469 0.187614 0.141564 H\n0.233521 0.860374 0.787748 H\n0.766479 0.139626 0.212252 H\n0.973110 0.676539 0.844174 H\n0.026890 0.323461 0.155826 H\n0.069570 0.692823 0.788286 H\n0.930430 0.307177 0.211714 H\n0.101012 0.642577 0.859600 H\n0.898988 0.357423 0.140400 H\n0.079286 0.892568 0.505591 Pd\n0.920714 0.107432 0.494409 Pd\n0.421419 0.391244 0.507386 Pd\n0.578581 0.608756 0.492614 Pd\n0.608894 0.922211 0.003245 Pd\n0.391106 0.077789 0.996755 Pd\n0.107920 0.579032 0.988666 Pd\n0.892080 0.420968 0.011334 Pd\n0.339870 0.939484 0.550587 C\n0.660130 0.060516 0.449413 C\n0.308384 0.932930 0.412436 C\n0.691616 0.067070 0.587564 C\n0.156647 0.438769 0.548821 C\n0.843353 0.561231 0.451179 C\n0.200848 0.418707 0.412292 C\n0.799152 0.581293 0.587708 C\n0.566438 0.683413 0.094534 C\n0.433562 0.316587 0.905466 C\n0.553719 0.678706 0.955625 C\n0.446281 0.321294 0.044375 C\n0.074389 0.789741 0.071522 C\n0.925611 0.210259 0.928478 C\n0.048617 0.838747 0.931967 C\n0.951383 0.161253 0.068033 C\n0.305543 0.967377 0.280898 C\n0.694457 0.032623 0.719102 C\n0.279241 0.751461 0.342394 C\n0.720759 0.248539 0.657606 C\n0.107270 0.906791 0.349984 C\n0.892730 0.093209 0.650016 C\n0.300231 0.774404 0.654459 C\n0.699769 0.225596 0.345541 C\n0.172586 0.968064 0.644596 C\n0.827414 0.031936 0.355404 C\n0.400955 0.975407 0.671505 C\n0.599045 0.024593 0.328495 C\n0.313684 0.473432 0.641196 C\n0.686316 0.526568 0.358804 C\n0.082325 0.486628 0.668039 C\n0.917675 0.513372 0.331961 C\n0.182225 0.281453 0.656066 C\n0.817775 0.718547 0.343934 C\n0.250072 0.456722 0.283109 C\n0.749928 0.543278 0.716891 C\n0.145580 0.258410 0.331603 C\n0.854420 0.741590 0.668397 C\n0.371975 0.296332 0.356381 C\n0.628025 0.703668 0.643619 C\n0.743660 0.616515 0.173578 C\n0.256340 0.383485 0.826422 C\n0.534735 0.674013 0.225660 C\n0.465265 0.325987 0.774340 C\n0.677640 0.836806 0.162734 C\n0.322360 0.163194 0.837266 C\n0.724172 0.717794 0.860000 C\n0.275828 0.282206 0.140000 C\n0.513780 0.638929 0.832164 C\n0.486220 0.361071 0.167836 C\n0.537675 0.858019 0.859276 C\n0.462325 0.141981 0.140724 C\n0.051702 0.757634 0.204162 C\n0.948298 0.242366 0.795838 C\n0.070587 0.575151 0.141746 C\n0.929413 0.424849 0.858254 C\n0.257865 0.721466 0.145000 C\n0.742135 0.278534 0.855000 C\n0.992036 0.919831 0.809784 C\n0.007964 0.080169 0.190216 C\n0.216234 0.864221 0.834044 C\n0.783766 0.135779 0.165956 C\n0.053371 0.698119 0.834555 C\n0.946629 0.301881 0.165445 C\n0.103408 0.066714 0.483958 Cl\n0.896592 0.933286 0.516042 Cl\n0.052720 0.721125 0.526991 Cl\n0.947280 0.278875 0.473009 Cl\n0.400653 0.562395 0.476098 Cl\n0.599347 0.437605 0.523902 Cl\n0.445716 0.222672 0.538498 Cl\n0.554284 0.777328 0.461502 Cl\n0.431652 0.897945 0.014267 Cl\n0.568348 0.102055 0.985733 Cl\n0.783669 0.949047 0.993662 Cl\n0.216331 0.050953 0.006338 Cl\n0.932345 0.601148 0.006305 Cl\n0.067655 0.398852 0.993695 Cl\n0.280215 0.556513 0.968857 Cl\n0.719785 0.443487 0.031143 Cl\n",
            "nsites": 288,
            "nelements": 6,
            "elements": [
                "Si",
                "Te",
                "H",
                "Pd",
                "C",
                "Cl"
            ],
            "chemical_system": "C-Cl-H-Pd-Si-Te",
            "density": 1.569475682305679,
            "density_atomic": 0.0709820711045198,
            "volume": 4057.362591969531,
            "volume_molar": 8.484030778888528,
            "formula_full": "Si16 Te8 H176 Pd8 C64 Cl16",
            "formula_reduced": "Si2TeH22Pd(C4Cl)2",
            "formula_anonymous": "ABC2D2E8F22",
            "energy": -1444.43306251,
            "energy_per_atom": -5.015392578159722,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1434.60906251,
            "band_gap": 1.7525,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001547,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:29.940000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-704325",
            "created_at": "2022-09-04T14:45:15.512507Z",
            "structure_string": "Gd16 Mo28 O108\n1.0\n7.452458 11.644833 0.000000\n-7.452458 11.644833 0.000000\n0.000000 3.768084 14.066298\nGd Mo O\n16 28 108\ndirect\n0.184598 0.570970 0.436704 Gd\n0.551828 0.670269 0.854591 Gd\n0.075660 0.685227 0.934698 Gd\n0.827735 0.943471 0.644551 Gd\n0.172265 0.056529 0.355449 Gd\n0.924340 0.314773 0.065302 Gd\n0.448172 0.329731 0.145409 Gd\n0.056529 0.172265 0.855449 Gd\n0.670269 0.551828 0.354591 Gd\n0.429030 0.815402 0.063296 Gd\n0.943471 0.827735 0.144551 Gd\n0.815402 0.429030 0.563296 Gd\n0.314773 0.924340 0.565302 Gd\n0.570970 0.184598 0.936704 Gd\n0.329731 0.448172 0.645409 Gd\n0.685227 0.075660 0.434698 Gd\n0.831996 0.638063 0.701665 Mo\n0.110163 0.350105 0.613064 Mo\n0.743842 0.132128 0.145830 Mo\n0.056860 0.454305 0.834325 Mo\n0.757002 0.365564 0.855206 Mo\n0.981069 0.880914 0.398711 Mo\n0.350105 0.110163 0.113064 Mo\n0.484525 0.375465 0.399957 Mo\n0.867872 0.256158 0.354170 Mo\n0.361937 0.168004 0.798335 Mo\n0.454305 0.056860 0.334325 Mo\n0.256158 0.867872 0.854170 Mo\n0.168004 0.361937 0.298335 Mo\n0.132128 0.743842 0.645830 Mo\n0.242998 0.634436 0.144794 Mo\n0.634436 0.242998 0.644794 Mo\n0.018931 0.119086 0.601289 Mo\n0.889837 0.649895 0.386936 Mo\n0.545695 0.943140 0.665675 Mo\n0.880914 0.981069 0.898711 Mo\n0.515475 0.624535 0.600043 Mo\n0.375465 0.484525 0.899957 Mo\n0.119086 0.018931 0.101289 Mo\n0.638063 0.831996 0.201665 Mo\n0.365564 0.757002 0.355206 Mo\n0.624535 0.515475 0.100043 Mo\n0.943140 0.545695 0.165675 Mo\n0.649895 0.889837 0.886936 Mo\n0.394773 0.446505 0.786016 O\n0.281367 0.685169 0.372240 O\n0.342731 0.266905 0.696139 O\n0.190047 0.437064 0.785243 O\n0.402312 0.208744 0.885266 O\n0.856457 0.957023 0.475961 O\n0.412353 0.575994 0.612387 O\n0.901662 0.298733 0.230821 O\n0.957023 0.856457 0.975961 O\n0.922109 0.680407 0.256215 O\n0.809953 0.562936 0.214757 O\n0.098338 0.701267 0.769179 O\n0.561741 0.815131 0.918653 O\n0.181262 0.228733 0.568777 O\n0.439750 0.987015 0.597433 O\n0.013623 0.580239 0.434124 O\n0.587647 0.424006 0.387613 O\n0.314831 0.718633 0.127760 O\n0.393688 0.806945 0.233012 O\n0.363829 0.455922 0.474894 O\n0.489146 0.665010 0.397251 O\n0.945905 0.255568 0.558675 O\n0.562936 0.809953 0.714757 O\n0.560250 0.012985 0.402567 O\n0.193055 0.606312 0.266988 O\n0.195796 0.623656 0.586229 O\n0.058909 0.115043 0.711435 O\n0.161400 0.988399 0.897650 O\n0.776879 0.190945 0.372046 O\n0.184869 0.438259 0.581347 O\n0.655326 0.955602 0.577041 O\n0.115043 0.058909 0.211435 O\n0.446505 0.394773 0.286016 O\n0.012985 0.560250 0.902567 O\n0.700921 0.124966 0.581635 O\n0.665010 0.489146 0.897251 O\n0.208744 0.402312 0.385266 O\n0.818738 0.771267 0.431223 O\n0.941091 0.884957 0.288565 O\n0.809055 0.223121 0.127954 O\n0.575994 0.412353 0.112387 O\n0.680407 0.922109 0.756215 O\n0.463536 0.767254 0.559677 O\n0.744432 0.054095 0.941325 O\n0.038455 0.469439 0.260970 O\n0.510854 0.334990 0.602749 O\n0.149535 0.240357 0.343585 O\n0.553495 0.605227 0.713984 O\n0.298733 0.901662 0.730821 O\n0.884957 0.941091 0.788565 O\n0.701267 0.098338 0.269179 O\n0.942639 0.074644 0.879026 O\n0.042977 0.143543 0.024039 O\n0.011601 0.838600 0.602350 O\n0.606312 0.193055 0.766988 O\n0.636171 0.544078 0.525106 O\n0.124966 0.700921 0.081635 O\n0.987015 0.439750 0.097433 O\n0.419761 0.986377 0.065876 O\n0.875034 0.299079 0.918365 O\n0.469439 0.038455 0.760970 O\n0.334990 0.510854 0.102749 O\n0.054095 0.744432 0.441325 O\n0.791256 0.597688 0.614734 O\n0.806945 0.393688 0.733012 O\n0.850465 0.759643 0.656415 O\n0.266905 0.342731 0.196139 O\n0.925356 0.057361 0.620974 O\n0.376344 0.804204 0.913771 O\n0.437064 0.190047 0.285243 O\n0.077891 0.319593 0.743785 O\n0.961545 0.530561 0.739030 O\n0.438259 0.184869 0.081347 O\n0.057361 0.925356 0.120974 O\n0.530561 0.961545 0.239030 O\n0.733095 0.657269 0.803861 O\n0.344674 0.044398 0.422959 O\n0.718633 0.314831 0.627760 O\n0.804204 0.376344 0.413771 O\n0.240357 0.149535 0.843585 O\n0.536464 0.232746 0.440323 O\n0.657269 0.733095 0.303861 O\n0.544078 0.636171 0.025106 O\n0.228733 0.181262 0.068777 O\n0.838600 0.011601 0.102350 O\n0.232746 0.536464 0.940323 O\n0.759643 0.850465 0.156415 O\n0.455922 0.363829 0.974894 O\n0.255568 0.945905 0.058675 O\n0.605227 0.553495 0.213984 O\n0.143543 0.042977 0.524039 O\n0.771267 0.818738 0.931223 O\n0.580239 0.013623 0.934124 O\n0.815131 0.561741 0.418653 O\n0.623656 0.195796 0.086229 O\n0.223121 0.809055 0.627954 O\n0.986377 0.419761 0.565876 O\n0.988399 0.161400 0.397650 O\n0.074644 0.942639 0.379026 O\n0.319593 0.077891 0.243785 O\n0.299079 0.875034 0.418365 O\n0.685169 0.281367 0.872240 O\n0.767254 0.463536 0.059677 O\n0.955602 0.655326 0.077041 O\n0.424006 0.587647 0.887613 O\n0.044398 0.344674 0.922959 O\n0.597688 0.791256 0.114734 O\n0.190945 0.776879 0.872046 O\n",
            "nsites": 152,
            "nelements": 3,
            "elements": [
                "Gd",
                "Mo",
                "O"
            ],
            "chemical_system": "Gd-Mo-O",
            "density": 4.713632434151614,
            "density_atomic": 0.06225883310782204,
            "volume": 2441.420637241322,
            "volume_molar": 9.672749165681669,
            "formula_full": "Gd16 Mo28 O108",
            "formula_reduced": "Gd4Mo7O27",
            "formula_anonymous": "A4B7C27",
            "energy": -1450.04040709,
            "energy_per_atom": -9.539739520328947,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1286.1884070900005,
            "band_gap": 2.8488,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 111.990989,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:00.363000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1194812",
            "created_at": "2022-09-04T14:41:11.870465Z",
            "structure_string": "Fe12 H84 C48 N6 O72\n1.0\n-7.263509 -12.582674 0.000909\n7.265160 -12.583627 0.000000\n-0.000334 -8.389277 14.046597\nFe H C N O\n12 84 48 6 72\ndirect\n0.499994 0.500037 0.499942 Fe\n0.999994 0.000027 0.999942 Fe\n0.336059 0.336044 0.991824 Fe\n0.836059 0.836072 0.491824 Fe\n0.663923 0.663936 0.008206 Fe\n0.163923 0.163935 0.508206 Fe\n0.249982 0.923625 0.249970 Fe\n0.923525 0.576429 0.250044 Fe\n0.576460 0.249961 0.249951 Fe\n0.749982 0.076421 0.749970 Fe\n0.076460 0.423627 0.749951 Fe\n0.423525 0.750001 0.750044 Fe\n0.634803 0.875079 0.342668 H\n0.875078 0.147457 0.342673 H\n0.147448 0.634795 0.342676 H\n0.134803 0.647450 0.842668 H\n0.647448 0.375082 0.842676 H\n0.375078 0.134792 0.842673 H\n0.365195 0.124920 0.657337 H\n0.124921 0.852542 0.657332 H\n0.852553 0.365203 0.657329 H\n0.865195 0.352548 0.157337 H\n0.352553 0.624915 0.157329 H\n0.624921 0.865205 0.157332 H\n0.349626 0.096685 0.085696 H\n0.096682 0.467989 0.085689 H\n0.468006 0.349599 0.085708 H\n0.849626 0.967993 0.585696 H\n0.968006 0.596686 0.585708 H\n0.596682 0.849640 0.585689 H\n0.650345 0.903304 0.914327 H\n0.903314 0.532017 0.914323 H\n0.532001 0.650388 0.914300 H\n0.150345 0.032024 0.414327 H\n0.032001 0.403312 0.414300 H\n0.403314 0.150346 0.414323 H\n0.075054 0.818971 0.381429 H\n0.818951 0.724572 0.381443 H\n0.724546 0.075049 0.381425 H\n0.575054 0.224547 0.881429 H\n0.224546 0.318979 0.881425 H\n0.318951 0.575035 0.881443 H\n0.924973 0.181036 0.618558 H\n0.181055 0.275418 0.618552 H\n0.275446 0.924959 0.618572 H\n0.424973 0.775433 0.118558 H\n0.775446 0.681022 0.118572 H\n0.681055 0.424975 0.118552 H\n0.401336 0.743071 0.388765 H\n0.743101 0.466822 0.388748 H\n0.466825 0.401340 0.388764 H\n0.901336 0.966827 0.888765 H\n0.966825 0.243070 0.888764 H\n0.243101 0.901328 0.888748 H\n0.598672 0.256909 0.611248 H\n0.256890 0.533174 0.611258 H\n0.533180 0.598663 0.611239 H\n0.098672 0.033171 0.111248 H\n0.033180 0.756919 0.111239 H\n0.756890 0.098679 0.111258 H\n0.523831 0.044289 0.247239 H\n0.044297 0.184637 0.247239 H\n0.184628 0.523828 0.247263 H\n0.023831 0.684640 0.747239 H\n0.684628 0.544280 0.747263 H\n0.544297 0.023827 0.747239 H\n0.476168 0.955713 0.752759 H\n0.955714 0.815363 0.752749 H\n0.815372 0.476170 0.752735 H\n0.976168 0.315360 0.252759 H\n0.315372 0.455723 0.252735 H\n0.455714 0.976174 0.252749 H\n0.566847 0.801998 0.340460 H\n0.801978 0.290699 0.340468 H\n0.290705 0.566847 0.340459 H\n0.066847 0.790695 0.840460 H\n0.790705 0.301990 0.840459 H\n0.301978 0.066854 0.840468 H\n0.433155 0.197994 0.659546 H\n0.198015 0.709299 0.659538 H\n0.709296 0.433156 0.659548 H\n0.933155 0.209305 0.159546 H\n0.209296 0.698000 0.159548 H\n0.698015 0.933147 0.159538 H\n0.490274 0.906781 0.400854 H\n0.906782 0.202091 0.400847 H\n0.202084 0.490281 0.400851 H\n0.990274 0.702091 0.900854 H\n0.702084 0.406783 0.900851 H\n0.406782 0.990281 0.900847 H\n0.509729 0.093211 0.599156 H\n0.093212 0.797905 0.599163 H\n0.797912 0.509719 0.599158 H\n0.009729 0.297904 0.099156 H\n0.297912 0.593210 0.099158 H\n0.593212 0.009721 0.099163 H\n0.261054 0.147666 0.111335 C\n0.147623 0.479954 0.111340 C\n0.479938 0.261056 0.111321 C\n0.761054 0.979945 0.611335 C\n0.979938 0.647685 0.611321 C\n0.647623 0.761083 0.611340 C\n0.738906 0.852353 0.888677 C\n0.852386 0.520053 0.888663 C\n0.520057 0.738933 0.888675 C\n0.238906 0.020064 0.388677 C\n0.020057 0.352334 0.388675 C\n0.352386 0.238898 0.388663 C\n0.026363 0.908034 0.376472 C\n0.908021 0.689158 0.376473 C\n0.689123 0.026361 0.376472 C\n0.526363 0.189131 0.876472 C\n0.189123 0.408043 0.876472 C\n0.408021 0.526348 0.876473 C\n0.973655 0.091971 0.623536 C\n0.091987 0.310830 0.623529 C\n0.310866 0.973643 0.623534 C\n0.473655 0.810837 0.123536 C\n0.810866 0.591957 0.123534 C\n0.591987 0.473654 0.123529 C\n0.361584 0.700193 0.381449 C\n0.700248 0.556773 0.381425 C\n0.556775 0.361604 0.381459 C\n0.861584 0.056774 0.881449 C\n0.056775 0.200162 0.881459 C\n0.200248 0.861554 0.881425 C\n0.638436 0.299777 0.618555 C\n0.299736 0.443221 0.618586 C\n0.443228 0.638406 0.618550 C\n0.138436 0.943232 0.118555 C\n0.943228 0.799816 0.118550 C\n0.799736 0.138458 0.118586 C\n0.558144 0.881718 0.339473 C\n0.881707 0.220665 0.339478 C\n0.220669 0.558142 0.339475 C\n0.058144 0.720665 0.839473 C\n0.720669 0.381714 0.839475 C\n0.381707 0.058150 0.839478 C\n0.441854 0.118275 0.660535 C\n0.118289 0.779336 0.660528 C\n0.779333 0.441855 0.660533 C\n0.941854 0.279336 0.160535 C\n0.279333 0.618279 0.160533 C\n0.618289 0.941847 0.160528 C\n0.532395 0.967603 0.250006 N\n0.967602 0.250002 0.250003 N\n0.250000 0.532395 0.250004 N\n0.032395 0.749996 0.750006 N\n0.750000 0.467600 0.750004 N\n0.467602 0.032393 0.750003 N\n0.195638 0.098957 0.172035 O\n0.098804 0.533376 0.172064 O\n0.533364 0.195606 0.172032 O\n0.695638 0.033370 0.672035 O\n0.033364 0.598998 0.672032 O\n0.598804 0.695755 0.672064 O\n0.804226 0.901206 0.827945 O\n0.901258 0.466632 0.827928 O\n0.466624 0.804337 0.827971 O\n0.304226 0.966623 0.327945 O\n0.966624 0.401068 0.327971 O\n0.401257 0.304183 0.327928 O\n0.288960 0.756499 0.337475 O\n0.756591 0.617047 0.337443 O\n0.617098 0.288950 0.337489 O\n0.788960 0.117066 0.837475 O\n0.117098 0.256463 0.837489 O\n0.256591 0.788919 0.837443 O\n0.711097 0.243389 0.662563 O\n0.243363 0.382957 0.662579 O\n0.382922 0.711060 0.662528 O\n0.211097 0.882950 0.162563 O\n0.882922 0.743490 0.162528 O\n0.743363 0.211101 0.162579 O\n0.076627 0.973670 0.335606 O\n0.973633 0.614129 0.335597 O\n0.614087 0.076624 0.335604 O\n0.576627 0.114096 0.835606 O\n0.114087 0.473685 0.835604 O\n0.473633 0.576641 0.835597 O\n0.923349 0.026387 0.664407 O\n0.026393 0.385854 0.664410 O\n0.385889 0.923369 0.664406 O\n0.423349 0.885858 0.164407 O\n0.885889 0.526336 0.164406 O\n0.526393 0.423343 0.164410 O\n0.392559 0.594985 0.418468 O\n0.595047 0.594020 0.418432 O\n0.593979 0.392579 0.418478 O\n0.892559 0.093988 0.918468 O\n0.093979 0.094964 0.918478 O\n0.095047 0.892501 0.918432 O\n0.607493 0.404938 0.581581 O\n0.404927 0.405969 0.581597 O\n0.406012 0.607433 0.581549 O\n0.107493 0.905988 0.081581 O\n0.906012 0.905005 0.081549 O\n0.904927 0.107508 0.081597 O\n0.920780 0.938733 0.412908 O\n0.938727 0.727573 0.412917 O\n0.727565 0.920798 0.412909 O\n0.420780 0.227579 0.912908 O\n0.227565 0.438728 0.912909 O\n0.438727 0.420782 0.912917 O\n0.079245 0.061263 0.587072 O\n0.061272 0.272430 0.587075 O\n0.272437 0.079213 0.587077 O\n0.579245 0.772419 0.087072 O\n0.772437 0.561274 0.087077 O\n0.561272 0.579223 0.087075 O\n0.230084 0.252930 0.077987 O\n0.252897 0.439038 0.078012 O\n0.438974 0.230118 0.077973 O\n0.730084 0.938999 0.577987 O\n0.938974 0.752935 0.577973 O\n0.752897 0.730053 0.578012 O\n0.769953 0.747104 0.921977 O\n0.747113 0.560952 0.921975 O\n0.561022 0.769894 0.922009 O\n0.269953 0.060966 0.421977 O\n0.061022 0.247075 0.422009 O\n0.247113 0.269960 0.421975 O\n",
            "nsites": 222,
            "nelements": 5,
            "elements": [
                "Fe",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-Fe-H-N-O",
            "density": 1.6601667751498195,
            "density_atomic": 0.08645219089620974,
            "volume": 2567.8932794950483,
            "volume_molar": 6.965862516115857,
            "formula_full": "Fe12 H84 C48 N6 O72",
            "formula_reduced": "Fe2H14C8NO12",
            "formula_anonymous": "AB2C8D12E14",
            "energy": -1456.2614094,
            "energy_per_atom": -6.5597360783783785,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1377.5594094,
            "band_gap": 1.6743,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 54.0001938,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:16.835000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1196033",
            "created_at": "2022-09-04T14:42:00.442280Z",
            "structure_string": "Ba4 Mn36 V24 O104\n1.0\n12.951741 0.000000 0.000000\n0.000000 12.951741 0.000000\n0.000000 0.000000 12.951741\nBa Mn V O\n4 36 24 104\ndirect\n-0.000000 0.500000 0.500000 Ba\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.321206 0.821206 0.678794 Mn\n0.678794 0.321206 0.821206 Mn\n0.178794 0.178794 0.178794 Mn\n0.821206 0.678794 0.321206 Mn\n0.678794 0.178794 0.321206 Mn\n0.321206 0.678794 0.178794 Mn\n0.821206 0.821206 0.821206 Mn\n0.178794 0.321206 0.678794 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.000000 0.500000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.309126 0.000802 0.839602 Mn\n0.690874 0.500802 0.660398 Mn\n0.190874 0.999198 0.339602 Mn\n0.809126 0.499198 0.160398 Mn\n0.839602 0.309126 0.000802 Mn\n0.660398 0.690874 0.500802 Mn\n0.339602 0.190874 0.999198 Mn\n0.160398 0.809126 0.499198 Mn\n0.000802 0.839602 0.309126 Mn\n0.500802 0.660398 0.690874 Mn\n0.999198 0.339602 0.190874 Mn\n0.499198 0.160398 0.809126 Mn\n0.690874 0.999198 0.160398 Mn\n0.309126 0.499198 0.339602 Mn\n0.809126 0.000802 0.660398 Mn\n0.190874 0.500802 0.839602 Mn\n0.160398 0.690874 0.999198 Mn\n0.339602 0.309126 0.499198 Mn\n0.660398 0.809126 0.000802 Mn\n0.839602 0.190874 0.500802 Mn\n0.999198 0.160398 0.690874 Mn\n0.499198 0.339602 0.309126 Mn\n0.000802 0.660398 0.809126 Mn\n0.500802 0.839602 0.190874 Mn\n0.074916 0.906062 0.745200 V\n0.925084 0.406062 0.754800 V\n0.425084 0.093938 0.245200 V\n0.574916 0.593938 0.254800 V\n0.745200 0.074916 0.906062 V\n0.754800 0.925084 0.406062 V\n0.245200 0.425084 0.093938 V\n0.254800 0.574916 0.593938 V\n0.906062 0.745200 0.074916 V\n0.406062 0.754800 0.925084 V\n0.093938 0.245200 0.425084 V\n0.593938 0.254800 0.574916 V\n0.925084 0.093938 0.254800 V\n0.074916 0.593938 0.245200 V\n0.574916 0.906062 0.754800 V\n0.425084 0.406062 0.745200 V\n0.254800 0.925084 0.093938 V\n0.245200 0.074916 0.593938 V\n0.754800 0.574916 0.906062 V\n0.745200 0.425084 0.406062 V\n0.093938 0.254800 0.925084 V\n0.593938 0.245200 0.074916 V\n0.906062 0.754800 0.574916 V\n0.406062 0.745200 0.425084 V\n0.145275 0.978331 0.830215 O\n0.854725 0.478331 0.669785 O\n0.354725 0.021669 0.330215 O\n0.645275 0.521669 0.169785 O\n0.830215 0.145275 0.978331 O\n0.669785 0.854725 0.478331 O\n0.330215 0.354725 0.021669 O\n0.169785 0.645275 0.521669 O\n0.978331 0.830215 0.145275 O\n0.478331 0.669785 0.854725 O\n0.021669 0.330215 0.354725 O\n0.521669 0.169785 0.645275 O\n0.854725 0.021669 0.169785 O\n0.145275 0.521669 0.330215 O\n0.645275 0.978331 0.669785 O\n0.354725 0.478331 0.830215 O\n0.169785 0.854725 0.021669 O\n0.330215 0.145275 0.521669 O\n0.669785 0.645275 0.978331 O\n0.830215 0.354725 0.478331 O\n0.021669 0.169785 0.854725 O\n0.521669 0.330215 0.145275 O\n0.978331 0.669785 0.645275 O\n0.478331 0.830215 0.354725 O\n0.320200 0.992014 0.672953 O\n0.679800 0.492014 0.827047 O\n0.179800 0.007986 0.172953 O\n0.820200 0.507986 0.327047 O\n0.672953 0.320200 0.992014 O\n0.827047 0.679800 0.492014 O\n0.172953 0.179800 0.007986 O\n0.327047 0.820200 0.507986 O\n0.992014 0.672953 0.320200 O\n0.492014 0.827047 0.679800 O\n0.007986 0.172953 0.179800 O\n0.507986 0.327047 0.820200 O\n0.679800 0.007986 0.327047 O\n0.320200 0.507986 0.172953 O\n0.820200 0.992014 0.827047 O\n0.179800 0.492014 0.672953 O\n0.327047 0.679800 0.007986 O\n0.172953 0.320200 0.507986 O\n0.827047 0.820200 0.992014 O\n0.672953 0.179800 0.492014 O\n0.007986 0.327047 0.679800 O\n0.507986 0.172953 0.320200 O\n0.992014 0.827047 0.820200 O\n0.492014 0.672953 0.179800 O\n0.351329 0.148671 0.851329 O\n0.648671 0.648671 0.648671 O\n0.148671 0.851329 0.351329 O\n0.851329 0.351329 0.148671 O\n0.648671 0.851329 0.148671 O\n0.351329 0.351329 0.351329 O\n0.851329 0.148671 0.648671 O\n0.148671 0.648671 0.851329 O\n0.499332 0.993947 0.830966 O\n0.500668 0.493947 0.669034 O\n0.000668 0.006053 0.330966 O\n0.999332 0.506053 0.169034 O\n0.830966 0.499332 0.993947 O\n0.669034 0.500668 0.493947 O\n0.330966 0.000668 0.006053 O\n0.169034 0.999332 0.506053 O\n0.993947 0.830966 0.499332 O\n0.493947 0.669034 0.500668 O\n0.006053 0.330966 0.000668 O\n0.506053 0.169034 0.999332 O\n0.500668 0.006053 0.169034 O\n0.499332 0.506053 0.330966 O\n0.999332 0.993947 0.669034 O\n0.000668 0.493947 0.830966 O\n0.169034 0.500668 0.006053 O\n0.330966 0.499332 0.506053 O\n0.669034 0.999332 0.993947 O\n0.830966 0.000668 0.493947 O\n0.006053 0.169034 0.500668 O\n0.506053 0.330966 0.499332 O\n0.993947 0.669034 0.999332 O\n0.493947 0.830966 0.000668 O\n0.334298 0.835901 0.843598 O\n0.665702 0.335901 0.656402 O\n0.165702 0.164099 0.343598 O\n0.834298 0.664099 0.156402 O\n0.843598 0.334298 0.835901 O\n0.656402 0.665702 0.335901 O\n0.343598 0.165702 0.164099 O\n0.156402 0.834298 0.664099 O\n0.835901 0.843598 0.334298 O\n0.335901 0.656402 0.665702 O\n0.164099 0.343598 0.165702 O\n0.664099 0.156402 0.834298 O\n0.665702 0.164099 0.156402 O\n0.334298 0.664099 0.343598 O\n0.834298 0.835901 0.656402 O\n0.165702 0.335901 0.843598 O\n0.156402 0.665702 0.164099 O\n0.343598 0.334298 0.664099 O\n0.656402 0.834298 0.835901 O\n0.843598 0.165702 0.335901 O\n0.164099 0.156402 0.665702 O\n0.664099 0.343598 0.334298 O\n0.835901 0.656402 0.834298 O\n0.335901 0.843598 0.165702 O\n",
            "nsites": 168,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mn",
                "V",
                "O"
            ],
            "chemical_system": "Ba-Mn-O-V",
            "density": 4.137630530036209,
            "density_atomic": 0.07732587238735772,
            "volume": 2172.623402920274,
            "volume_molar": 7.788002351700052,
            "formula_full": "Ba4 Mn36 V24 O104",
            "formula_reduced": "BaMn9V6O26",
            "formula_anonymous": "AB6C9D26",
            "energy": -1457.06966174,
            "energy_per_atom": -8.673033700833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1284.77366174,
            "band_gap": 0.0062000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 172.0118432,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:35.795000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-667344",
            "created_at": "2022-09-04T14:47:46.987401Z",
            "structure_string": "Rb18 Nb30 P12 O114\n1.0\n18.622291 -6.607866 0.000000\n18.622291 6.607866 0.000000\n16.277580 0.000000 11.202410\nRb Nb P O\n18 30 12 114\ndirect\n0.681381 0.328564 0.026270 Rb\n0.077357 0.750000 0.422643 Rb\n0.473730 0.171436 0.818619 Rb\n0.922643 0.250000 0.577357 Rb\n0.181381 0.526270 0.828564 Rb\n0.250000 0.577357 0.922643 Rb\n0.171436 0.818619 0.473730 Rb\n0.973730 0.318619 0.671436 Rb\n0.328564 0.026270 0.681381 Rb\n0.818619 0.473730 0.171436 Rb\n0.526270 0.828564 0.181381 Rb\n0.026270 0.681381 0.328564 Rb\n0.828564 0.181381 0.526270 Rb\n0.577357 0.922643 0.250000 Rb\n0.671436 0.973730 0.318619 Rb\n0.422643 0.077357 0.750000 Rb\n0.318619 0.671436 0.973730 Rb\n0.750000 0.422643 0.077357 Rb\n0.267277 0.132707 0.454862 Nb\n0.275854 0.466238 0.594946 Nb\n0.466238 0.594946 0.275854 Nb\n0.033762 0.224146 0.905054 Nb\n0.594946 0.275854 0.466238 Nb\n0.533762 0.405054 0.724146 Nb\n0.724146 0.533762 0.405054 Nb\n0.224146 0.905054 0.033762 Nb\n0.775854 0.094946 0.966238 Nb\n0.454862 0.267277 0.132707 Nb\n0.954862 0.632707 0.767277 Nb\n0.340771 0.340771 0.340771 Nb\n0.867293 0.545138 0.732723 Nb\n0.500000 0.500000 0.500000 Nb\n0.159229 0.159229 0.159229 Nb\n0.367293 0.232723 0.045138 Nb\n0.045138 0.367293 0.232723 Nb\n0.132707 0.454862 0.267277 Nb\n0.732723 0.867293 0.545138 Nb\n0.840771 0.840771 0.840771 Nb\n0.094946 0.966238 0.775854 Nb\n0.545138 0.732723 0.867293 Nb\n0.767277 0.954862 0.632707 Nb\n0.232723 0.045138 0.367293 Nb\n0.966238 0.775854 0.094946 Nb\n0.905054 0.033762 0.224146 Nb\n0.659229 0.659229 0.659229 Nb\n0.000000 0.000000 0.000000 Nb\n0.632707 0.767277 0.954862 Nb\n0.405054 0.724146 0.533762 Nb\n0.401192 0.836945 0.615963 P\n0.336945 0.901192 0.115963 P\n0.163055 0.384037 0.598808 P\n0.884037 0.663055 0.098808 P\n0.901192 0.115963 0.336945 P\n0.115963 0.336945 0.901192 P\n0.663055 0.098808 0.884037 P\n0.836945 0.615963 0.401192 P\n0.615963 0.401192 0.836945 P\n0.384037 0.598808 0.163055 P\n0.098808 0.884037 0.663055 P\n0.598808 0.163055 0.384037 P\n0.851828 0.711593 0.592700 O\n0.647075 0.503446 0.752268 O\n0.648172 0.907300 0.788407 O\n0.477016 0.600971 0.037090 O\n0.060652 0.439348 0.250000 O\n0.183193 0.070643 0.926717 O\n0.429357 0.316807 0.573283 O\n0.083562 0.939826 0.703027 O\n0.397910 0.646681 0.516670 O\n0.570643 0.683193 0.426717 O\n0.288407 0.407300 0.148172 O\n0.351828 0.092700 0.211593 O\n0.767877 0.659725 0.217758 O\n0.267877 0.717758 0.159725 O\n0.483330 0.602090 0.353319 O\n0.916438 0.060174 0.296973 O\n0.897910 0.016670 0.146681 O\n0.297107 0.184512 0.053354 O\n0.583562 0.203027 0.439826 O\n0.703027 0.083562 0.939826 O\n0.573283 0.429357 0.316807 O\n0.037090 0.477016 0.600971 O\n0.816807 0.929357 0.073283 O\n0.796973 0.560174 0.416438 O\n0.202893 0.446646 0.315488 O\n0.353319 0.483330 0.602090 O\n0.090597 0.623689 0.151212 O\n0.426717 0.570643 0.683193 O\n0.560652 0.750000 0.939348 O\n0.100971 0.977016 0.537090 O\n0.147075 0.252268 0.003446 O\n0.146681 0.897910 0.016670 O\n0.996554 0.852925 0.747732 O\n0.376311 0.848788 0.909403 O\n0.252268 0.003446 0.147075 O\n0.876311 0.409403 0.348788 O\n0.211593 0.351828 0.092700 O\n0.747732 0.996554 0.852925 O\n0.496554 0.247732 0.352925 O\n0.788407 0.648172 0.907300 O\n0.815488 0.946646 0.702893 O\n0.092700 0.211593 0.351828 O\n0.909403 0.376311 0.848788 O\n0.602090 0.353319 0.483330 O\n0.296973 0.916438 0.060174 O\n0.232123 0.340275 0.782242 O\n0.340275 0.782242 0.232123 O\n0.446646 0.315488 0.202893 O\n0.899029 0.022984 0.462910 O\n0.148172 0.288407 0.407300 O\n0.683193 0.426717 0.570643 O\n0.553354 0.684512 0.797107 O\n0.752268 0.647075 0.503446 O\n0.560174 0.416438 0.796973 O\n0.016670 0.146681 0.897910 O\n0.516670 0.397910 0.646681 O\n0.983330 0.853319 0.102090 O\n0.600971 0.037090 0.477016 O\n0.409403 0.348788 0.876311 O\n0.102090 0.983330 0.853319 O\n0.946646 0.702893 0.815488 O\n0.702893 0.815488 0.946646 O\n0.684512 0.797107 0.553354 O\n0.522984 0.399029 0.962910 O\n0.782242 0.232123 0.340275 O\n0.590597 0.651212 0.123689 O\n0.184512 0.053354 0.297107 O\n0.073283 0.816807 0.929357 O\n0.797107 0.553354 0.684512 O\n0.316807 0.573283 0.429357 O\n0.352925 0.496554 0.247732 O\n0.070643 0.926717 0.183193 O\n0.537090 0.100971 0.977016 O\n0.646681 0.516670 0.397910 O\n0.439348 0.250000 0.060652 O\n0.439826 0.583562 0.203027 O\n0.977016 0.537090 0.100971 O\n0.651212 0.123689 0.590597 O\n0.217758 0.767877 0.659725 O\n0.848788 0.909403 0.376311 O\n0.247732 0.352925 0.496554 O\n0.962910 0.522984 0.399029 O\n0.732123 0.282242 0.840275 O\n0.250000 0.060652 0.439348 O\n0.151212 0.090597 0.623689 O\n0.929357 0.073283 0.816807 O\n0.399029 0.962910 0.522984 O\n0.717758 0.159725 0.267877 O\n0.123689 0.590597 0.651212 O\n0.503446 0.752268 0.647075 O\n0.060174 0.296973 0.916438 O\n0.159725 0.267877 0.717758 O\n0.003446 0.147075 0.252268 O\n0.939348 0.560652 0.750000 O\n0.592700 0.851828 0.711593 O\n0.623689 0.151212 0.090597 O\n0.282242 0.840275 0.732123 O\n0.315488 0.202893 0.446646 O\n0.939826 0.703027 0.083562 O\n0.659725 0.217758 0.767877 O\n0.853319 0.102090 0.983330 O\n0.462910 0.899029 0.022984 O\n0.203027 0.439826 0.583562 O\n0.348788 0.876311 0.409403 O\n0.407300 0.148172 0.288407 O\n0.711593 0.592700 0.851828 O\n0.053354 0.297107 0.184512 O\n0.852925 0.747732 0.996554 O\n0.022984 0.462910 0.899029 O\n0.926717 0.183193 0.070643 O\n0.416438 0.796973 0.560174 O\n0.840275 0.732123 0.282242 O\n0.907300 0.788407 0.648172 O\n0.750000 0.939348 0.560652 O\n",
            "nsites": 174,
            "nelements": 4,
            "elements": [
                "Rb",
                "Nb",
                "P",
                "O"
            ],
            "chemical_system": "Nb-O-P-Rb",
            "density": 3.9277399214724156,
            "density_atomic": 0.0631122194113936,
            "volume": 2756.993837687602,
            "volume_molar": 9.541956876440997,
            "formula_full": "Rb18 Nb30 P12 O114",
            "formula_reduced": "Rb3Nb5P2O19",
            "formula_anonymous": "A2B3C5D19",
            "energy": -1458.60265089,
            "energy_per_atom": -8.382773855689654,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1380.28465089,
            "band_gap": 2.7304,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0112226,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:20.283000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1205282",
            "created_at": "2022-09-04T14:45:41.509471Z",
            "structure_string": "K8 Co8 Mo24 As24 O144\n1.0\n15.202955 0.000000 0.000000\n-0.000000 15.202955 0.000000\n0.000000 0.000000 15.202955\nK Co Mo As O\n8 8 24 24 144\ndirect\n0.251804 0.751804 0.748196 K\n0.748196 0.251804 0.751804 K\n0.248196 0.248196 0.248196 K\n0.751804 0.748196 0.251804 K\n0.748196 0.248196 0.251804 K\n0.251804 0.748196 0.248196 K\n0.751804 0.751804 0.751804 K\n0.248196 0.251804 0.748196 K\n0.500000 0.500000 -0.000000 Co\n0.500000 0.000000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n-0.000000 0.000000 -0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n-0.000000 0.500000 -0.000000 Co\n-0.000000 0.000000 0.500000 Co\n0.341386 0.502746 0.840495 Mo\n0.658614 0.002746 0.659505 Mo\n0.158614 0.497254 0.340495 Mo\n0.841386 0.997254 0.159505 Mo\n0.840495 0.341386 0.502746 Mo\n0.659505 0.658614 0.002746 Mo\n0.340495 0.158614 0.497254 Mo\n0.159505 0.841386 0.997254 Mo\n0.502746 0.840495 0.341386 Mo\n0.002746 0.659505 0.658614 Mo\n0.497254 0.340495 0.158614 Mo\n0.997254 0.159505 0.841386 Mo\n0.658614 0.497254 0.159505 Mo\n0.341386 0.997254 0.340495 Mo\n0.841386 0.502746 0.659505 Mo\n0.158614 0.002746 0.840495 Mo\n0.159505 0.658614 0.497254 Mo\n0.340495 0.341386 0.997254 Mo\n0.659505 0.841386 0.502746 Mo\n0.840495 0.158614 0.002746 Mo\n0.497254 0.159505 0.658614 Mo\n0.997254 0.340495 0.341386 Mo\n0.502746 0.659505 0.841386 Mo\n0.002746 0.840495 0.158614 Mo\n0.511376 0.344632 0.831453 As\n0.488624 0.844632 0.668547 As\n0.988624 0.655368 0.331453 As\n0.011376 0.155368 0.168547 As\n0.831453 0.511376 0.344632 As\n0.668547 0.488624 0.844632 As\n0.331453 0.988624 0.655368 As\n0.168547 0.011376 0.155368 As\n0.344632 0.831453 0.511376 As\n0.844632 0.668547 0.488624 As\n0.655368 0.331453 0.988624 As\n0.155368 0.168547 0.011376 As\n0.488624 0.655368 0.168547 As\n0.511376 0.155368 0.331453 As\n0.011376 0.344632 0.668547 As\n0.988624 0.844632 0.831453 As\n0.168547 0.488624 0.655368 As\n0.331453 0.511376 0.155368 As\n0.668547 0.011376 0.344632 As\n0.831453 0.988624 0.844632 As\n0.655368 0.168547 0.488624 As\n0.155368 0.331453 0.511376 As\n0.344632 0.668547 0.011376 As\n0.844632 0.831453 0.988624 As\n0.454589 0.418298 0.912626 O\n0.545411 0.918298 0.587374 O\n0.045411 0.581702 0.412626 O\n0.954589 0.081702 0.087374 O\n0.912626 0.454589 0.418298 O\n0.587374 0.545411 0.918298 O\n0.412626 0.045411 0.581702 O\n0.087374 0.954589 0.081702 O\n0.418298 0.912626 0.454589 O\n0.918298 0.587374 0.545411 O\n0.581702 0.412626 0.045411 O\n0.081702 0.087374 0.954589 O\n0.545411 0.581702 0.087374 O\n0.454589 0.081702 0.412626 O\n0.954589 0.418298 0.587374 O\n0.045411 0.918298 0.912626 O\n0.087374 0.545411 0.581702 O\n0.412626 0.454589 0.081702 O\n0.587374 0.954589 0.418298 O\n0.912626 0.045411 0.918298 O\n0.581702 0.087374 0.545411 O\n0.081702 0.412626 0.454589 O\n0.418298 0.587374 0.954589 O\n0.918298 0.912626 0.045411 O\n0.264921 0.585934 0.823907 O\n0.735079 0.085934 0.676093 O\n0.235079 0.414066 0.323907 O\n0.764921 0.914066 0.176093 O\n0.823907 0.264921 0.585934 O\n0.676093 0.735079 0.085934 O\n0.323907 0.235079 0.414066 O\n0.176093 0.764921 0.914066 O\n0.585934 0.823907 0.264921 O\n0.085934 0.676093 0.735079 O\n0.414066 0.323907 0.235079 O\n0.914066 0.176093 0.764921 O\n0.735079 0.414066 0.176093 O\n0.264921 0.914066 0.323907 O\n0.764921 0.585934 0.676093 O\n0.235079 0.085934 0.823907 O\n0.176093 0.735079 0.414066 O\n0.323907 0.264921 0.914066 O\n0.676093 0.764921 0.585934 O\n0.823907 0.235079 0.085934 O\n0.414066 0.176093 0.735079 O\n0.914066 0.323907 0.264921 O\n0.585934 0.676093 0.764921 O\n0.085934 0.823907 0.235079 O\n0.290544 0.445657 0.942650 O\n0.709456 0.945657 0.557350 O\n0.209456 0.554343 0.442650 O\n0.790544 0.054343 0.057350 O\n0.942650 0.290544 0.445657 O\n0.557350 0.709456 0.945657 O\n0.442650 0.209456 0.554343 O\n0.057350 0.790544 0.054343 O\n0.445657 0.942650 0.290544 O\n0.945657 0.557350 0.709456 O\n0.554343 0.442650 0.209456 O\n0.054343 0.057350 0.790544 O\n0.709456 0.554343 0.057350 O\n0.290544 0.054343 0.442650 O\n0.790544 0.445657 0.557350 O\n0.209456 0.945657 0.942650 O\n0.057350 0.709456 0.554343 O\n0.442650 0.290544 0.054343 O\n0.557350 0.790544 0.445657 O\n0.942650 0.209456 0.945657 O\n0.554343 0.057350 0.709456 O\n0.054343 0.442650 0.290544 O\n0.445657 0.557350 0.790544 O\n0.945657 0.942650 0.209456 O\n0.319453 0.423610 0.759854 O\n0.680547 0.923610 0.740146 O\n0.180547 0.576390 0.259854 O\n0.819453 0.076390 0.240146 O\n0.759854 0.319453 0.423610 O\n0.740146 0.680547 0.923610 O\n0.259854 0.180547 0.576390 O\n0.240146 0.819453 0.076390 O\n0.423610 0.759854 0.319453 O\n0.923610 0.740146 0.680547 O\n0.576390 0.259854 0.180547 O\n0.076390 0.240146 0.819453 O\n0.680547 0.576390 0.240146 O\n0.319453 0.076390 0.259854 O\n0.819453 0.423610 0.740146 O\n0.180547 0.923610 0.759854 O\n0.240146 0.680547 0.576390 O\n0.259854 0.319453 0.076390 O\n0.740146 0.819453 0.423610 O\n0.759854 0.180547 0.923610 O\n0.576390 0.240146 0.680547 O\n0.076390 0.259854 0.319453 O\n0.423610 0.740146 0.819453 O\n0.923610 0.759854 0.180547 O\n0.581000 0.285145 0.907399 O\n0.419000 0.785145 0.592601 O\n0.919000 0.714855 0.407399 O\n0.081000 0.214855 0.092601 O\n0.907399 0.581000 0.285145 O\n0.592601 0.419000 0.785145 O\n0.407399 0.919000 0.714855 O\n0.092601 0.081000 0.214855 O\n0.285145 0.907399 0.581000 O\n0.785145 0.592601 0.419000 O\n0.714855 0.407399 0.919000 O\n0.214855 0.092601 0.081000 O\n0.419000 0.714855 0.092601 O\n0.581000 0.214855 0.407399 O\n0.081000 0.285145 0.592601 O\n0.919000 0.785145 0.907399 O\n0.092601 0.419000 0.714855 O\n0.407399 0.581000 0.214855 O\n0.592601 0.081000 0.285145 O\n0.907399 0.919000 0.785145 O\n0.714855 0.092601 0.419000 O\n0.214855 0.407399 0.581000 O\n0.285145 0.592601 0.081000 O\n0.785145 0.907399 0.919000 O\n0.421504 0.554745 0.432863 O\n0.578496 0.054745 0.067137 O\n0.078496 0.445255 0.932863 O\n0.921504 0.945255 0.567137 O\n0.432863 0.421504 0.554745 O\n0.067137 0.578496 0.054745 O\n0.932863 0.078496 0.445255 O\n0.567137 0.921504 0.945255 O\n0.554745 0.432863 0.421504 O\n0.054745 0.067137 0.578496 O\n0.445255 0.932863 0.078496 O\n0.945255 0.567137 0.921504 O\n0.578496 0.445255 0.567137 O\n0.421504 0.945255 0.932863 O\n0.921504 0.554745 0.067137 O\n0.078496 0.054745 0.432863 O\n0.567137 0.578496 0.445255 O\n0.932863 0.421504 0.945255 O\n0.067137 0.921504 0.554745 O\n0.432863 0.078496 0.054745 O\n0.445255 0.567137 0.578496 O\n0.945255 0.932863 0.421504 O\n0.554745 0.067137 0.921504 O\n0.054745 0.432863 0.078496 O\n",
            "nsites": 208,
            "nelements": 5,
            "elements": [
                "K",
                "Co",
                "Mo",
                "As",
                "O"
            ],
            "chemical_system": "As-Co-K-Mo-O",
            "density": 3.397223537420729,
            "density_atomic": 0.05919422036337234,
            "volume": 3513.8565678061427,
            "volume_molar": 10.173528298932249,
            "formula_full": "K8 Co8 Mo24 As24 O144",
            "formula_reduced": "KCoMo3(AsO6)3",
            "formula_anonymous": "ABC3D3E18",
            "energy": -1463.70915039,
            "energy_per_atom": -7.037063223028847,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1274.82915039,
            "band_gap": 0.0138,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 39.9998279,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:17.407000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-1214997",
            "created_at": "2022-09-04T14:46:14.958893Z",
            "structure_string": "C72 N84 Cl36\n1.0\n-10.538263 -6.957503 5.685066\n10.538263 -6.957503 -5.685066\n10.418823 6.957503 15.374898\nC N Cl\n72 84 36\ndirect\n0.386475 0.097996 0.619204 C\n0.613525 0.902004 0.380796 C\n0.978792 0.767271 0.880796 C\n0.021208 0.232729 0.119204 C\n0.591424 0.460941 0.136539 C\n0.408576 0.539059 0.863461 C\n0.824402 0.454885 0.363461 C\n0.175598 0.545115 0.636539 C\n0.699453 0.179670 0.024175 C\n0.300547 0.820330 0.975825 C\n0.655495 0.675278 0.475825 C\n0.344505 0.324722 0.524175 C\n0.918820 0.846830 0.371494 C\n0.081180 0.153170 0.628506 C\n0.975336 0.547326 0.128506 C\n0.024664 0.452674 0.871494 C\n0.913763 0.215833 0.423589 C\n0.086237 0.784167 0.576411 C\n0.292244 0.490174 0.076411 C\n0.707756 0.509826 0.923589 C\n0.844914 0.188723 0.128202 C\n0.155086 0.811277 0.871798 C\n0.560521 0.716711 0.371798 C\n0.439479 0.283289 0.628202 C\n0.290976 0.128392 0.520391 C\n0.709024 0.871608 0.479609 C\n0.108001 0.770585 0.979609 C\n0.891999 0.229415 0.020391 C\n0.581811 0.817882 0.071776 C\n0.418189 0.182118 0.928224 C\n0.246107 0.510035 0.428224 C\n0.753893 0.489965 0.571776 C\n0.357253 0.132094 0.021865 C\n0.642747 0.867906 0.978135 C\n0.610229 0.335389 0.478135 C\n0.389771 0.664611 0.521865 C\n0.884401 0.818057 0.115215 C\n0.115599 0.181943 0.884785 C\n0.202842 0.769186 0.384785 C\n0.797158 0.230814 0.615215 C\n0.143109 0.766336 0.481144 C\n0.856891 0.233664 0.518856 C\n0.785192 0.661965 0.018856 C\n0.214808 0.338035 0.981144 C\n0.443670 0.283782 0.131767 C\n0.556330 0.716218 0.868233 C\n0.652015 0.311903 0.368233 C\n0.347985 0.688097 0.631767 C\n0.998882 0.818612 0.476645 C\n0.001118 0.181388 0.523355 C\n0.841966 0.522236 0.023355 C\n0.158034 0.477764 0.976645 C\n0.666419 0.151122 0.128844 C\n0.333581 0.848878 0.871156 C\n0.522278 0.537575 0.371156 C\n0.477722 0.462425 0.628844 C\n0.212792 0.176291 0.424472 C\n0.787208 0.823709 0.575528 C\n0.251819 0.788321 0.075528 C\n0.748181 0.211679 0.924472 C\n0.507422 0.327925 0.029454 C\n0.492578 0.672075 0.970546 C\n0.798470 0.477968 0.470546 C\n0.201530 0.522032 0.529454 C\n0.296153 0.100279 0.117760 C\n0.703847 0.899721 0.882240 C\n0.482519 0.178393 0.382240 C\n0.517481 0.821607 0.617760 C\n0.062285 0.811578 0.373800 C\n0.937715 0.188422 0.626200 C\n0.937778 0.688485 0.126200 C\n0.062222 0.311515 0.873800 C\n0.525057 0.392750 0.170288 N\n0.474943 0.607250 0.829712 N\n0.722462 0.354769 0.329712 N\n0.277538 0.645231 0.670288 N\n0.305082 0.053076 0.552876 N\n0.694918 0.946924 0.447124 N\n0.000200 0.752206 0.947124 N\n0.999800 0.247794 0.052876 N\n0.988394 0.185434 0.455089 N\n0.011606 0.814566 0.544911 N\n0.230345 0.533305 0.044911 N\n0.769655 0.466695 0.955089 N\n0.505627 0.705852 0.039273 N\n0.494373 0.294148 0.960727 N\n0.166579 0.466354 0.460727 N\n0.833421 0.533646 0.539273 N\n0.435826 0.247934 0.061043 N\n0.564174 0.752066 0.938957 N\n0.686891 0.374783 0.438957 N\n0.313109 0.625217 0.561043 N\n0.951577 0.204443 0.158802 N\n0.048423 0.795557 0.841198 N\n0.545641 0.792774 0.341198 N\n0.454359 0.207226 0.658802 N\n0.798736 0.760196 0.050487 N\n0.201264 0.239804 0.949513 N\n0.209709 0.748249 0.449513 N\n0.790291 0.251751 0.550487 N\n0.812163 0.198896 0.057632 N\n0.187837 0.801104 0.942368 N\n0.641264 0.754532 0.442368 N\n0.358736 0.245468 0.557632 N\n0.770017 0.164704 0.164189 N\n0.229983 0.835296 0.835811 N\n0.500514 0.605828 0.335811 N\n0.499486 0.394172 0.664189 N\n0.333300 0.816732 0.044375 N\n0.666700 0.183268 0.955625 N\n0.272357 0.288924 0.455625 N\n0.727643 0.711076 0.544375 N\n0.214137 0.093385 0.453295 N\n0.785863 0.906615 0.546705 N\n0.140090 0.760843 0.046705 N\n0.859910 0.239157 0.953295 N\n0.287165 0.056550 0.051910 N\n0.712835 0.943450 0.948090 N\n0.504640 0.235255 0.448090 N\n0.495360 0.764745 0.551910 N\n0.983518 0.833997 0.336804 N\n0.016482 0.166003 0.663196 N\n0.997193 0.646714 0.163196 N\n0.002807 0.353286 0.836804 N\n0.068185 0.799088 0.443754 N\n0.931815 0.200912 0.556246 N\n0.855334 0.624431 0.056246 N\n0.144666 0.375569 0.943754 N\n0.292762 0.399198 0.047806 N\n0.707238 0.600802 0.952194 N\n0.851391 0.244955 0.452194 N\n0.148609 0.755045 0.547806 N\n0.134548 0.799976 0.345268 N\n0.865452 0.200024 0.654732 N\n0.954709 0.789280 0.154732 N\n0.045291 0.210720 0.845268 N\n0.920676 0.841605 0.438407 N\n0.079324 0.158395 0.561593 N\n0.903198 0.482269 0.061593 N\n0.096802 0.517731 0.938407 N\n0.647754 0.901553 0.044935 N\n0.352246 0.098447 0.955065 N\n0.356618 0.602819 0.455065 N\n0.643382 0.397181 0.544935 N\n0.626295 0.157650 0.061831 N\n0.373705 0.842350 0.938168 N\n0.595819 0.564464 0.438169 N\n0.404181 0.435536 0.561832 N\n0.588343 0.437206 0.069077 N\n0.411657 0.562794 0.930923 N\n0.868129 0.519267 0.430923 N\n0.131871 0.480733 0.569077 N\n0.369789 0.207912 0.159598 N\n0.630211 0.792088 0.840402 N\n0.548314 0.210191 0.340402 N\n0.451686 0.789809 0.659598 N\n0.200372 0.005058 0.153745 Cl\n0.799628 0.994942 0.846255 Cl\n0.351313 0.046627 0.346255 Cl\n0.648687 0.953373 0.653745 Cl\n0.816916 0.874358 0.321967 Cl\n0.183084 0.125642 0.678033 Cl\n0.052391 0.494949 0.178033 Cl\n0.947609 0.505051 0.821967 Cl\n0.892025 0.213646 0.334566 Cl\n0.107975 0.786354 0.665434 Cl\n0.379080 0.557459 0.165434 Cl\n0.620920 0.442541 0.834566 Cl\n0.593394 0.997900 0.339923 Cl\n0.406606 0.002100 0.660077 Cl\n0.157976 0.253471 0.160077 Cl\n0.842024 0.746529 0.839923 Cl\n0.572562 0.122206 0.176831 Cl\n0.427438 0.877794 0.823169 Cl\n0.445375 0.395730 0.323169 Cl\n0.554625 0.604270 0.676831 Cl\n0.124835 0.132280 0.335517 Cl\n0.875165 0.867720 0.664483 Cl\n0.296764 0.789318 0.164483 Cl\n0.703236 0.210682 0.835517 Cl\n0.697339 0.600864 0.187788 Cl\n0.302661 0.399136 0.812212 Cl\n0.913076 0.509550 0.312212 Cl\n0.086924 0.490450 0.687788 Cl\n0.598205 0.859719 0.160154 Cl\n0.401795 0.140281 0.839846 Cl\n0.199565 0.438051 0.339846 Cl\n0.800435 0.561949 0.660154 Cl\n0.907319 0.948047 0.153078 Cl\n0.092681 0.051953 0.846922 Cl\n0.294970 0.754241 0.346922 Cl\n0.705030 0.245759 0.653078 Cl\n",
            "nsites": 192,
            "nelements": 3,
            "elements": [
                "C",
                "N",
                "Cl"
            ],
            "chemical_system": "C-Cl-N",
            "density": 1.7893662582862995,
            "density_atomic": 0.06236227632467166,
            "volume": 3078.784343926222,
            "volume_molar": 9.656704525420812,
            "formula_full": "C72 N84 Cl36",
            "formula_reduced": "C6N7Cl3",
            "formula_anonymous": "A3B6C7",
            "energy": -1464.1537332500002,
            "energy_per_atom": -7.625800694010418,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1411.72573325,
            "band_gap": 2.7037,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.79e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:30.197000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1198217",
            "created_at": "2022-09-04T14:46:15.232919Z",
            "structure_string": "Zn12 H96 C16 Se20 N48 O60\n1.0\n9.089437 -0.000000 0.000000\n-0.000000 15.521566 0.000000\n0.000000 0.000000 20.955145\nZn H C Se N O\n12 96 16 20 48 60\ndirect\n0.534793 0.261230 0.900925 Zn\n0.465207 0.738770 0.400925 Zn\n0.534793 0.238770 0.099075 Zn\n0.465207 0.761230 0.599075 Zn\n0.465207 0.738770 0.099075 Zn\n0.534793 0.261230 0.599075 Zn\n0.465207 0.761230 0.900925 Zn\n0.534793 0.238770 0.400925 Zn\n0.918734 0.250000 0.000000 Zn\n0.081266 0.750000 0.500000 Zn\n0.081266 0.750000 0.000000 Zn\n0.918734 0.250000 0.500000 Zn\n0.976237 0.441778 0.645746 H\n0.023763 0.558222 0.145746 H\n0.976237 0.058222 0.354254 H\n0.023763 0.941778 0.854254 H\n0.023763 0.558222 0.354254 H\n0.976237 0.441778 0.854254 H\n0.023763 0.941778 0.645746 H\n0.976237 0.058222 0.145746 H\n0.811915 0.420485 0.689938 H\n0.188085 0.579515 0.189938 H\n0.811915 0.079515 0.310062 H\n0.188085 0.920485 0.810062 H\n0.188085 0.579515 0.310062 H\n0.811915 0.420485 0.810062 H\n0.188085 0.920485 0.689938 H\n0.811915 0.079515 0.189938 H\n0.986200 0.570056 0.584503 H\n0.013800 0.429944 0.084503 H\n0.986200 0.929944 0.415497 H\n0.013800 0.070056 0.915497 H\n0.013800 0.429944 0.415497 H\n0.986200 0.570056 0.915497 H\n0.013800 0.070056 0.584503 H\n0.986200 0.929944 0.084503 H\n0.835330 0.636030 0.581975 H\n0.164670 0.363970 0.081975 H\n0.835330 0.863970 0.418025 H\n0.164670 0.136030 0.918025 H\n0.164670 0.363970 0.418025 H\n0.835330 0.636030 0.918025 H\n0.164670 0.136030 0.581975 H\n0.835330 0.863970 0.081975 H\n0.614587 0.505269 0.681569 H\n0.385413 0.494731 0.181569 H\n0.614587 0.994731 0.318431 H\n0.385413 0.005269 0.818431 H\n0.385413 0.494731 0.318431 H\n0.614587 0.505269 0.818431 H\n0.385413 0.005269 0.681569 H\n0.614587 0.994731 0.181569 H\n0.607920 0.588492 0.625694 H\n0.392080 0.411508 0.125694 H\n0.607920 0.911508 0.374306 H\n0.392080 0.088492 0.874306 H\n0.392080 0.411508 0.374306 H\n0.607920 0.588492 0.874306 H\n0.392080 0.088492 0.625694 H\n0.607920 0.911508 0.125694 H\n0.214496 0.238595 0.791886 H\n0.785504 0.761405 0.291886 H\n0.214496 0.261405 0.208114 H\n0.785504 0.738595 0.708114 H\n0.785504 0.761405 0.208114 H\n0.214496 0.238595 0.708114 H\n0.785504 0.738595 0.791886 H\n0.214496 0.261405 0.291886 H\n0.824433 0.243653 0.806163 H\n0.175567 0.756347 0.306163 H\n0.824433 0.256347 0.193837 H\n0.175567 0.743653 0.693837 H\n0.175567 0.756347 0.193837 H\n0.824433 0.243653 0.693837 H\n0.175567 0.743653 0.806163 H\n0.824433 0.256347 0.306163 H\n0.991191 0.246665 0.848361 H\n0.008809 0.753335 0.348361 H\n0.991191 0.253335 0.151639 H\n0.008809 0.746665 0.651639 H\n0.008809 0.753335 0.151639 H\n0.991191 0.246665 0.651639 H\n0.008809 0.746665 0.848361 H\n0.991191 0.253335 0.348361 H\n0.202332 0.412580 0.793066 H\n0.797668 0.587420 0.293066 H\n0.202332 0.087420 0.206934 H\n0.797668 0.912580 0.706934 H\n0.797668 0.587420 0.206934 H\n0.202332 0.412580 0.706934 H\n0.797668 0.912580 0.793066 H\n0.202332 0.087420 0.293066 H\n0.279706 0.526843 0.654127 H\n0.720294 0.473157 0.154127 H\n0.279706 0.973157 0.345873 H\n0.720294 0.026843 0.845873 H\n0.720294 0.473157 0.345873 H\n0.279706 0.526843 0.845873 H\n0.720294 0.026843 0.654127 H\n0.279706 0.973157 0.154127 H\n0.345471 0.620749 0.692687 H\n0.654529 0.379251 0.192687 H\n0.345471 0.879251 0.307313 H\n0.654529 0.120749 0.807313 H\n0.654529 0.379251 0.307313 H\n0.345471 0.620749 0.807313 H\n0.654529 0.120749 0.692687 H\n0.345471 0.879251 0.192687 H\n0.806973 0.527955 0.635984 C\n0.193027 0.472045 0.135984 C\n0.806973 0.972045 0.364016 C\n0.193027 0.027955 0.864016 C\n0.193027 0.472045 0.364016 C\n0.806973 0.527955 0.864016 C\n0.193027 0.027955 0.635984 C\n0.806973 0.972045 0.135984 C\n0.009931 0.237897 0.750000 C\n0.990069 0.762103 0.250000 C\n0.009931 0.262103 0.250000 C\n0.990069 0.737897 0.750000 C\n0.287598 0.518247 0.750000 C\n0.712402 0.481753 0.250000 C\n0.287598 0.981753 0.250000 C\n0.712402 0.018247 0.750000 C\n0.211662 0.343426 0.930360 Se\n0.788338 0.656574 0.430360 Se\n0.211662 0.156574 0.069640 Se\n0.788338 0.843426 0.569640 Se\n0.788338 0.656574 0.069640 Se\n0.211662 0.343426 0.569640 Se\n0.788338 0.843426 0.930360 Se\n0.211662 0.156574 0.430360 Se\n0.668806 0.101593 0.987180 Se\n0.331194 0.898407 0.487180 Se\n0.668806 0.398407 0.012820 Se\n0.331194 0.601593 0.512820 Se\n0.331194 0.898407 0.012820 Se\n0.668806 0.101593 0.512820 Se\n0.331194 0.601593 0.987180 Se\n0.668806 0.398407 0.487180 Se\n0.541361 0.303709 0.750000 Se\n0.458639 0.696291 0.250000 Se\n0.541361 0.196291 0.250000 Se\n0.458639 0.803709 0.750000 Se\n0.874085 0.460734 0.662181 N\n0.125915 0.539266 0.162181 N\n0.874085 0.039266 0.337819 N\n0.125915 0.960734 0.837819 N\n0.125915 0.539266 0.337819 N\n0.874085 0.460734 0.837819 N\n0.125915 0.960734 0.662181 N\n0.874085 0.039266 0.162181 N\n0.875824 0.576418 0.591693 N\n0.124176 0.423582 0.091693 N\n0.875824 0.923582 0.408307 N\n0.124176 0.076418 0.908307 N\n0.124176 0.423582 0.408307 N\n0.875824 0.576418 0.908307 N\n0.124176 0.076418 0.591693 N\n0.875824 0.923582 0.091693 N\n0.669430 0.548685 0.653872 N\n0.330570 0.451315 0.153871 N\n0.669430 0.951315 0.346129 N\n0.330570 0.048685 0.846128 N\n0.330570 0.451315 0.346129 N\n0.669430 0.548685 0.846128 N\n0.330570 0.048685 0.653872 N\n0.669430 0.951315 0.153871 N\n0.157920 0.233337 0.750000 N\n0.842080 0.766663 0.250000 N\n0.157920 0.266663 0.250000 N\n0.842080 0.733337 0.750000 N\n0.937257 0.239442 0.805403 N\n0.062743 0.760558 0.305403 N\n0.937257 0.260558 0.194597 N\n0.062743 0.739442 0.694597 N\n0.062743 0.760558 0.194597 N\n0.937257 0.239442 0.694597 N\n0.062743 0.739442 0.805403 N\n0.937257 0.260558 0.305403 N\n0.230999 0.438907 0.750000 N\n0.769001 0.561093 0.250000 N\n0.230999 0.061093 0.250000 N\n0.769001 0.938907 0.750000 N\n0.318991 0.556511 0.694231 N\n0.681009 0.443489 0.194231 N\n0.318991 0.943489 0.305769 N\n0.681009 0.056511 0.805769 N\n0.681009 0.443489 0.305769 N\n0.318991 0.556511 0.805769 N\n0.681009 0.056511 0.694231 N\n0.318991 0.943489 0.194231 N\n0.527673 0.146851 0.942168 O\n0.472327 0.853149 0.442168 O\n0.527673 0.353149 0.057832 O\n0.472327 0.646851 0.557832 O\n0.472327 0.853149 0.057832 O\n0.527673 0.146851 0.557832 O\n0.472327 0.646851 0.942168 O\n0.527673 0.353149 0.442168 O\n0.618247 0.243292 0.812803 O\n0.381753 0.756708 0.312803 O\n0.618247 0.256708 0.187197 O\n0.381753 0.743292 0.687197 O\n0.381753 0.756708 0.187197 O\n0.618247 0.243292 0.687197 O\n0.381753 0.743292 0.812803 O\n0.618247 0.256708 0.312803 O\n0.324488 0.283068 0.879630 O\n0.675512 0.716932 0.379630 O\n0.324488 0.216932 0.120370 O\n0.675512 0.783068 0.620370 O\n0.675512 0.716932 0.120370 O\n0.324488 0.283068 0.620370 O\n0.675512 0.783068 0.879630 O\n0.324488 0.216932 0.379630 O\n0.653286 0.352660 0.938511 O\n0.346714 0.647340 0.438511 O\n0.653286 0.147340 0.061489 O\n0.346714 0.852660 0.561489 O\n0.346714 0.647340 0.061489 O\n0.653286 0.352660 0.561489 O\n0.346714 0.852660 0.938511 O\n0.653286 0.147340 0.438511 O\n0.825813 0.150300 0.957265 O\n0.174187 0.849700 0.457265 O\n0.825813 0.349700 0.042735 O\n0.174187 0.650300 0.542735 O\n0.174187 0.849700 0.042735 O\n0.825813 0.150300 0.542735 O\n0.174187 0.650300 0.957265 O\n0.825813 0.349700 0.457265 O\n0.057431 0.276676 0.927764 O\n0.942569 0.723324 0.427764 O\n0.057431 0.223324 0.072236 O\n0.942569 0.776676 0.572236 O\n0.942569 0.723324 0.072236 O\n0.057431 0.276676 0.572236 O\n0.942569 0.776676 0.927764 O\n0.057431 0.223324 0.427764 O\n0.162316 0.428130 0.883419 O\n0.837684 0.571870 0.383419 O\n0.162316 0.071870 0.116581 O\n0.837684 0.928130 0.616581 O\n0.837684 0.571870 0.116581 O\n0.162316 0.428130 0.616581 O\n0.837684 0.928130 0.883419 O\n0.162316 0.071870 0.383419 O\n0.642002 0.395810 0.750000 O\n0.357998 0.604190 0.250000 O\n0.642002 0.104190 0.250000 O\n0.357998 0.895810 0.750000 O\n",
            "nsites": 252,
            "nelements": 6,
            "elements": [
                "Zn",
                "H",
                "C",
                "Se",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-Se-Zn",
            "density": 2.406965573389977,
            "density_atomic": 0.08523880464661832,
            "volume": 2956.3999758647205,
            "volume_molar": 7.0650225386976,
            "formula_full": "Zn12 H96 C16 Se20 N48 O60",
            "formula_reduced": "Zn3H24C4Se5(N4O5)3",
            "formula_anonymous": "A3B4C5D12E15F24",
            "energy": -1467.51824908,
            "energy_per_atom": -5.823485115396825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1408.97024908,
            "band_gap": 4.199,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:31.524000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-720469",
            "created_at": "2022-09-04T14:45:40.215331Z",
            "structure_string": "H24 Os20 Pt8 C68 O68\n1.0\n16.410711 0.000000 0.000000\n0.000000 9.701483 0.000000\n0.000000 0.402680 19.553079\nH Os Pt C O\n24 20 8 68 68\ndirect\n0.595028 0.559000 0.086797 H\n0.904972 0.059000 0.586797 H\n0.404972 0.441000 0.913203 H\n0.095028 0.941000 0.413203 H\n0.452681 0.482789 0.130580 H\n0.047319 0.982789 0.630580 H\n0.547319 0.517211 0.869420 H\n0.952681 0.017211 0.369420 H\n0.562851 0.299364 0.080612 H\n0.937149 0.799364 0.580612 H\n0.437149 0.700636 0.919388 H\n0.062851 0.200636 0.419388 H\n0.631332 0.230836 0.261281 H\n0.868668 0.730836 0.761281 H\n0.368668 0.769164 0.738719 H\n0.131332 0.269164 0.238719 H\n0.654804 0.522318 0.276257 H\n0.845196 0.022318 0.776257 H\n0.345196 0.477682 0.723743 H\n0.154804 0.977682 0.223743 H\n0.714240 0.312951 0.340197 H\n0.785760 0.812951 0.840197 H\n0.285760 0.687049 0.659803 H\n0.214240 0.187049 0.159803 H\n0.647996 0.399587 0.111434 Os\n0.852004 0.899587 0.611434 Os\n0.352004 0.600413 0.888566 Os\n0.147996 0.100413 0.388566 Os\n0.531025 0.599049 0.158998 Os\n0.968975 0.099049 0.658998 Os\n0.468975 0.400951 0.841002 Os\n0.031025 0.900951 0.341002 Os\n0.485505 0.304301 0.147294 Os\n0.014495 0.804301 0.647294 Os\n0.514495 0.695699 0.852706 Os\n0.985505 0.195699 0.352706 Os\n0.631848 0.190504 0.351832 Os\n0.868152 0.690504 0.851832 Os\n0.368152 0.809496 0.648168 Os\n0.131848 0.309496 0.148168 Os\n0.682506 0.483417 0.365944 Os\n0.817494 0.983417 0.865944 Os\n0.317494 0.516583 0.634056 Os\n0.182506 0.016583 0.134056 Os\n0.592275 0.395608 0.244381 Pt\n0.907725 0.895608 0.744381 Pt\n0.407725 0.604392 0.755619 Pt\n0.092275 0.104392 0.255619 Pt\n0.527198 0.394540 0.390374 Pt\n0.972802 0.894540 0.890374 Pt\n0.472802 0.605460 0.609626 Pt\n0.027198 0.105460 0.109626 Pt\n0.436324 0.279242 0.413393 C\n0.063676 0.779242 0.913393 C\n0.563676 0.720758 0.586607 C\n0.936324 0.220758 0.086607 C\n0.487576 0.573465 0.412463 C\n0.012424 0.073465 0.912463 C\n0.512424 0.426535 0.587537 C\n0.987576 0.926535 0.087537 C\n0.683916 0.402196 0.018955 C\n0.816084 0.902196 0.518955 C\n0.316084 0.597804 0.981045 C\n0.183916 0.097804 0.481045 C\n0.698690 0.225370 0.130258 C\n0.801310 0.725370 0.630258 C\n0.301310 0.774630 0.869742 C\n0.198690 0.274630 0.369742 C\n0.741919 0.499565 0.140823 C\n0.758081 0.999565 0.640823 C\n0.258081 0.500435 0.859177 C\n0.241919 0.000435 0.359177 C\n0.483573 0.727012 0.094741 C\n0.016427 0.227012 0.594741 C\n0.516427 0.272988 0.905259 C\n0.983573 0.772988 0.405259 C\n0.456863 0.641891 0.231021 C\n0.043137 0.141891 0.731021 C\n0.543137 0.358109 0.768979 C\n0.956863 0.858109 0.268979 C\n0.611960 0.724535 0.189833 C\n0.888040 0.224535 0.689833 C\n0.388040 0.275465 0.810167 C\n0.111960 0.775465 0.310167 C\n0.517438 0.116756 0.160302 C\n0.982562 0.616756 0.660302 C\n0.482562 0.883244 0.839698 C\n0.017438 0.383244 0.339698 C\n0.408860 0.289719 0.220424 C\n0.091140 0.789719 0.720424 C\n0.591140 0.710281 0.779576 C\n0.908860 0.210281 0.279576 C\n0.408689 0.271059 0.075743 C\n0.091311 0.771059 0.575743 C\n0.591311 0.728941 0.924257 C\n0.908689 0.228941 0.424257 C\n0.641785 0.139085 0.446812 C\n0.858215 0.639085 0.946812 C\n0.358215 0.860915 0.553188 C\n0.141785 0.360915 0.053188 C\n0.714027 0.063161 0.322887 C\n0.785973 0.563161 0.822887 C\n0.285973 0.936839 0.677113 C\n0.214027 0.436839 0.177113 C\n0.544089 0.065658 0.338409 C\n0.955911 0.565658 0.838409 C\n0.455911 0.934342 0.661591 C\n0.044089 0.434342 0.161591 C\n0.651602 0.671265 0.372635 C\n0.848398 0.171265 0.872635 C\n0.348398 0.328735 0.627365 C\n0.151602 0.828735 0.127365 C\n0.702114 0.463961 0.462442 C\n0.797886 0.963961 0.962442 C\n0.297886 0.536039 0.537558 C\n0.202114 0.036039 0.037558 C\n0.792265 0.525784 0.339294 C\n0.707735 0.025784 0.839294 C\n0.207735 0.474216 0.660706 C\n0.292265 0.974216 0.160706 C\n0.382275 0.216189 0.435750 O\n0.117725 0.716189 0.935750 O\n0.617725 0.783811 0.564250 O\n0.882275 0.283811 0.064250 O\n0.463373 0.681197 0.426642 O\n0.036627 0.181197 0.926642 O\n0.536627 0.318803 0.573358 O\n0.963373 0.818803 0.073358 O\n0.706749 0.402234 0.962593 O\n0.793251 0.902234 0.462593 O\n0.293251 0.597766 0.037407 O\n0.206749 0.097766 0.537407 O\n0.725802 0.118178 0.143650 O\n0.774198 0.618178 0.643650 O\n0.274198 0.881822 0.856350 O\n0.225802 0.381822 0.356350 O\n0.798288 0.556980 0.161422 O\n0.701712 0.056980 0.661422 O\n0.201712 0.443020 0.838578 O\n0.298288 0.943020 0.338578 O\n0.456577 0.806834 0.055689 O\n0.043423 0.306834 0.555689 O\n0.543423 0.193166 0.944311 O\n0.956577 0.693166 0.444311 O\n0.410254 0.663898 0.273844 O\n0.089746 0.163898 0.773844 O\n0.589746 0.336102 0.726156 O\n0.910254 0.836102 0.226156 O\n0.662498 0.797871 0.208669 O\n0.837502 0.297871 0.708669 O\n0.337502 0.202129 0.791331 O\n0.162498 0.702129 0.291331 O\n0.541081 0.004748 0.166538 O\n0.958919 0.504748 0.666538 O\n0.458919 0.995252 0.833462 O\n0.041081 0.495252 0.333462 O\n0.364417 0.273723 0.266023 O\n0.135583 0.773723 0.766023 O\n0.635583 0.726277 0.733977 O\n0.864417 0.226277 0.233977 O\n0.361774 0.250113 0.032585 O\n0.138226 0.750113 0.532585 O\n0.638226 0.749887 0.967415 O\n0.861774 0.249887 0.467415 O\n0.648579 0.101205 0.503350 O\n0.851421 0.601205 0.003350 O\n0.351421 0.898795 0.496650 O\n0.148579 0.398795 0.996650 O\n0.764492 0.987440 0.305757 O\n0.735508 0.487440 0.805757 O\n0.235508 0.012560 0.694243 O\n0.264492 0.512560 0.194243 O\n0.489791 0.992245 0.328025 O\n0.010209 0.492245 0.828025 O\n0.510209 0.007755 0.671975 O\n0.989791 0.507755 0.171975 O\n0.630964 0.785874 0.374153 O\n0.869036 0.285874 0.874153 O\n0.369036 0.214126 0.625847 O\n0.130964 0.714126 0.125847 O\n0.712253 0.460220 0.521268 O\n0.787747 0.960220 0.021268 O\n0.287747 0.539780 0.478732 O\n0.212253 0.039780 0.978732 O\n0.858182 0.554497 0.322390 O\n0.641818 0.054497 0.822390 O\n0.141818 0.445503 0.677610 O\n0.358182 0.945503 0.177610 O\n",
            "nsites": 188,
            "nelements": 5,
            "elements": [
                "H",
                "Os",
                "Pt",
                "C",
                "O"
            ],
            "chemical_system": "C-H-O-Os-Pt",
            "density": 3.8908372948866976,
            "density_atomic": 0.06039168816755043,
            "volume": 3113.011172637096,
            "volume_molar": 9.971803972911305,
            "formula_full": "H24 Os20 Pt8 C68 O68",
            "formula_reduced": "H6Os5Pt2(CO)17",
            "formula_anonymous": "A2B5C6D17E17",
            "energy": -1468.99826412,
            "energy_per_atom": -7.813820553829787,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1422.28226412,
            "band_gap": 1.7221000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.002486,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:16.440000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-24696",
            "created_at": "2022-09-04T14:45:11.220864Z",
            "structure_string": "Mg6 Sb12 H144 O108\n1.0\n16.237883 -0.000001 0.000000\n-8.118940 14.062419 0.000000\n0.000000 0.000000 9.933413\nH O Mg Sb\n144 108 6 12\ndirect\n0.998006 0.098867 0.804018 H\n0.901133 0.899139 0.804018 H\n0.100861 0.001994 0.804018 H\n0.091972 0.094510 0.204106 H\n0.905490 0.997462 0.204106 H\n0.002538 0.908028 0.204106 H\n0.570980 0.241343 0.712934 H\n0.758657 0.329637 0.712934 H\n0.670363 0.429020 0.712934 H\n0.657685 0.227876 0.112146 H\n0.772124 0.429809 0.112146 H\n0.570191 0.342315 0.112146 H\n0.336306 0.574070 0.212755 H\n0.425930 0.762236 0.212755 H\n0.237764 0.663694 0.212755 H\n0.327910 0.765207 0.814472 H\n0.234793 0.562702 0.814472 H\n0.437298 0.672090 0.814472 H\n0.348245 0.174226 0.858954 H\n0.825774 0.174020 0.858954 H\n0.825980 0.651755 0.858954 H\n0.342915 0.106925 0.742551 H\n0.893075 0.235990 0.742551 H\n0.764010 0.657085 0.742551 H\n0.477352 0.187660 0.075495 H\n0.812340 0.289692 0.075495 H\n0.710308 0.522648 0.075495 H\n0.441767 0.102598 0.185781 H\n0.897402 0.339169 0.185781 H\n0.660831 0.558233 0.185781 H\n0.437358 0.004922 0.752528 H\n0.995078 0.432436 0.752528 H\n0.567564 0.562642 0.752528 H\n0.503809 0.104187 0.827466 H\n0.895813 0.399623 0.827466 H\n0.600377 0.496191 0.827466 H\n0.333734 0.893607 0.159890 H\n0.106393 0.440127 0.159890 H\n0.559873 0.666266 0.159890 H\n0.357234 0.863625 0.017740 H\n0.136375 0.493609 0.017740 H\n0.506391 0.642766 0.017740 H\n0.231851 0.905699 0.752723 H\n0.094301 0.326152 0.752723 H\n0.673848 0.768149 0.752723 H\n0.196469 0.849912 0.892028 H\n0.150088 0.346557 0.892028 H\n0.653443 0.803531 0.892028 H\n0.175955 0.988891 0.031233 H\n0.011109 0.187063 0.031233 H\n0.812937 0.824045 0.031233 H\n0.233032 0.008847 0.170664 H\n0.991152 0.224185 0.170664 H\n0.775815 0.766968 0.170664 H\n0.508025 0.994191 0.059305 H\n0.005809 0.513834 0.059305 H\n0.486166 0.491975 0.059305 H\n0.565566 0.989867 0.182213 H\n0.010133 0.575698 0.182213 H\n0.424302 0.434434 0.182213 H\n0.664171 0.105254 0.765401 H\n0.894746 0.558917 0.765401 H\n0.441083 0.335829 0.765401 H\n0.683038 0.157114 0.910109 H\n0.842886 0.525924 0.910109 H\n0.474076 0.316962 0.910109 H\n0.828805 0.057075 0.092723 H\n0.942925 0.771729 0.092723 H\n0.228271 0.171195 0.092723 H\n0.763722 0.088706 0.174812 H\n0.911294 0.675016 0.174812 H\n0.324984 0.236278 0.174812 H\n0.769749 0.003309 0.743948 H\n0.996691 0.766440 0.743948 H\n0.233560 0.230251 0.743948 H\n0.805393 0.956021 0.854833 H\n0.043979 0.849373 0.854833 H\n0.150627 0.194607 0.854833 H\n0.561022 0.823402 0.090927 H\n0.176598 0.737620 0.090927 H\n0.262380 0.438978 0.090927 H\n0.663519 0.882852 0.158759 H\n0.117148 0.780667 0.158759 H\n0.219333 0.336481 0.158759 H\n0.484042 0.859573 0.853406 H\n0.140427 0.624469 0.853406 H\n0.375531 0.515958 0.853406 H\n0.567509 0.894488 0.740617 H\n0.105512 0.673022 0.740617 H\n0.326978 0.432491 0.740617 H\n0.023316 0.143470 0.365463 H\n0.856530 0.879845 0.365463 H\n0.120154 0.976684 0.365463 H\n0.164474 0.103759 0.590241 H\n0.896241 0.060715 0.590241 H\n0.939285 0.835526 0.590241 H\n0.523507 0.311318 0.554145 H\n0.688682 0.212189 0.554145 H\n0.787811 0.476493 0.554145 H\n0.559543 0.168214 0.332834 H\n0.831786 0.391329 0.332834 H\n0.608671 0.440457 0.332834 H\n0.275718 0.501687 0.596552 H\n0.498313 0.774030 0.596552 H\n0.225970 0.724282 0.596552 H\n0.352173 0.807887 0.373440 H\n0.192113 0.544286 0.373440 H\n0.455714 0.647827 0.373440 H\n0.294079 0.109436 0.347154 H\n0.890564 0.184644 0.347154 H\n0.815356 0.705921 0.347154 H\n0.439873 0.162140 0.551530 H\n0.837860 0.277733 0.551530 H\n0.722267 0.560127 0.551530 H\n0.479086 0.020839 0.353635 H\n0.979161 0.458247 0.353635 H\n0.541753 0.520914 0.353635 H\n0.366615 0.883110 0.597406 H\n0.116890 0.483506 0.597406 H\n0.516494 0.633385 0.597406 H\n0.213439 0.839717 0.353139 H\n0.160283 0.373722 0.353139 H\n0.626278 0.786561 0.353139 H\n0.177280 0.961889 0.587035 H\n0.038111 0.215391 0.587035 H\n0.784609 0.822720 0.587035 H\n0.555538 0.041761 0.580356 H\n0.958239 0.513776 0.580356 H\n0.486224 0.444462 0.580356 H\n0.702156 0.151670 0.329083 H\n0.848330 0.550486 0.329083 H\n0.449514 0.297844 0.329083 H\n0.818296 0.127303 0.569968 H\n0.872697 0.690993 0.569968 H\n0.309007 0.181704 0.569968 H\n0.771728 0.942663 0.361534 H\n0.057337 0.829065 0.361534 H\n0.170935 0.228272 0.361534 H\n0.647843 0.859755 0.582261 H\n0.140245 0.788088 0.582261 H\n0.211912 0.352157 0.582261 H\n0.499689 0.891484 0.373948 H\n0.108516 0.608205 0.373948 H\n0.391795 0.500311 0.373948 H\n0.034347 0.115903 0.889223 O\n0.884097 0.918444 0.889223 O\n0.081556 0.965653 0.889223 O\n0.113709 0.084213 0.115353 O\n0.915787 0.029495 0.115353 O\n0.970505 0.886291 0.115353 O\n0.581913 0.219936 0.801640 O\n0.780064 0.361978 0.801640 O\n0.638022 0.418087 0.801640 O\n0.695456 0.247594 0.028198 O\n0.752406 0.447862 0.028198 O\n0.552138 0.304544 0.028198 O\n0.302918 0.552886 0.124837 O\n0.447114 0.750031 0.124837 O\n0.249969 0.697082 0.124837 O\n0.365391 0.782330 0.898650 O\n0.217670 0.583061 0.898650 O\n0.416939 0.634609 0.898650 O\n0.321712 0.106344 0.836522 O\n0.893656 0.215369 0.836522 O\n0.784631 0.678288 0.836522 O\n0.432298 0.119267 0.093713 O\n0.880733 0.313031 0.093713 O\n0.686969 0.567702 0.093713 O\n0.455377 0.035759 0.842071 O\n0.964241 0.419618 0.842071 O\n0.580382 0.544623 0.842071 O\n0.368213 0.918609 0.074547 O\n0.081391 0.449604 0.074547 O\n0.550396 0.631787 0.074547 O\n0.252591 0.897621 0.843326 O\n0.102379 0.354970 0.843326 O\n0.645030 0.747409 0.843326 O\n0.225679 0.982736 0.078760 O\n0.017264 0.242943 0.078760 O\n0.757057 0.774321 0.078760 O\n0.573069 0.013309 0.088152 O\n0.986691 0.559760 0.088152 O\n0.440240 0.426931 0.088152 O\n0.694417 0.112785 0.854385 O\n0.887215 0.581633 0.854385 O\n0.418367 0.305583 0.854385 O\n0.775467 0.070757 0.084568 O\n0.929243 0.704710 0.084568 O\n0.295290 0.224533 0.084568 O\n0.753586 0.969917 0.831376 O\n0.030083 0.783668 0.831376 O\n0.216332 0.246414 0.831376 O\n0.630346 0.867011 0.071419 O\n0.132989 0.763335 0.071419 O\n0.236665 0.369654 0.071419 O\n0.552347 0.903644 0.834148 O\n0.096356 0.648703 0.834148 O\n0.351297 0.447653 0.834148 O\n0.065578 0.115857 0.371899 O\n0.884143 0.949721 0.371899 O\n0.050279 0.934422 0.371899 O\n0.114424 0.037045 0.610394 O\n0.962955 0.077379 0.610394 O\n0.922621 0.885576 0.610394 O\n0.550593 0.268576 0.546132 O\n0.731424 0.282018 0.546132 O\n0.717982 0.449407 0.546132 O\n0.625343 0.217844 0.308426 O\n0.782156 0.407499 0.308426 O\n0.592501 0.374657 0.308426 O\n0.259339 0.551374 0.619738 O\n0.448626 0.707966 0.619738 O\n0.292034 0.740661 0.619738 O\n0.396341 0.782403 0.380817 O\n0.217597 0.613938 0.380817 O\n0.386062 0.603659 0.380817 O\n0.258579 0.039372 0.344465 O\n0.960628 0.219207 0.344465 O\n0.780793 0.741421 0.344465 O\n0.372588 0.113833 0.572970 O\n0.886167 0.258755 0.572970 O\n0.741245 0.627412 0.572970 O\n0.447364 0.059850 0.350758 O\n0.940150 0.387515 0.350758 O\n0.612485 0.552636 0.350758 O\n0.400353 0.953256 0.588703 O\n0.046744 0.447098 0.588703 O\n0.552902 0.599647 0.588703 O\n0.283981 0.876124 0.352007 O\n0.123876 0.407856 0.352007 O\n0.592144 0.716019 0.352007 O\n0.212362 0.926305 0.584508 O\n0.073695 0.286057 0.584508 O\n0.713943 0.787638 0.584508 O\n0.625541 0.075783 0.582052 O\n0.924217 0.549758 0.582052 O\n0.450242 0.374459 0.582052 O\n0.736727 0.116029 0.336834 O\n0.883971 0.620698 0.336834 O\n0.379302 0.263273 0.336834 O\n0.787241 0.056611 0.572996 O\n0.943389 0.730630 0.572996 O\n0.269370 0.212759 0.572996 O\n0.704902 0.926272 0.342670 O\n0.073728 0.778630 0.342670 O\n0.221370 0.295098 0.342670 O\n0.605397 0.887375 0.581671 O\n0.112625 0.718021 0.581671 O\n0.281979 0.394603 0.581671 O\n0.548239 0.959013 0.353069 O\n0.040987 0.589225 0.353069 O\n0.410775 0.451761 0.353069 O\n0.342353 0.015440 0.962202 Mg\n0.984560 0.326912 0.962202 Mg\n0.673088 0.657647 0.962202 Mg\n0.661546 0.988224 0.961635 Mg\n0.011776 0.673322 0.961635 Mg\n0.326678 0.338454 0.961635 Mg\n0.000000 0.000000 0.002331 Sb\n0.666667 0.333333 0.913930 Sb\n0.333333 0.666667 0.011816 Sb\n0.000000 0.000000 0.494573 Sb\n0.666667 0.333333 0.423594 Sb\n0.333333 0.666667 0.504265 Sb\n0.328707 0.993884 0.465318 Sb\n0.006116 0.334823 0.465318 Sb\n0.665177 0.671293 0.465318 Sb\n0.668005 0.003288 0.460002 Sb\n0.996712 0.664717 0.460002 Sb\n0.335283 0.331995 0.460002 Sb\n",
            "nsites": 270,
            "nelements": 4,
            "elements": [
                "H",
                "O",
                "Mg",
                "Sb"
            ],
            "chemical_system": "H-Mg-O-Sb",
            "density": 2.5476747738021355,
            "density_atomic": 0.11903532044681565,
            "volume": 2268.2343273115694,
            "volume_molar": 5.059120887308956,
            "formula_full": "Mg6 Sb12 H144 O108",
            "formula_reduced": "MgSb2(H4O3)6",
            "formula_anonymous": "AB2C18D24",
            "energy": -1471.0680463699998,
            "energy_per_atom": -5.44840017174074,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1396.87204637,
            "band_gap": 3.2815,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:47.959000Z",
            "spacegroup": 143
        }
    ]
}