GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12194
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": null,
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=12193",
    "results": [
        {
            "id": "mp-572726",
            "created_at": "2022-09-04T14:42:23.360783Z",
            "structure_string": "Sb8 Se8 Cl56 O8\n1.0\n15.211543 0.000000 0.000000\n0.000000 12.866041 0.000000\n0.000000 3.770234 13.161120\nSb Se Cl O\n8 8 56 8\ndirect\n0.642825 0.256047 0.237414 Sb\n0.607371 0.246854 0.743210 Sb\n0.357175 0.743953 0.762586 Sb\n0.392629 0.753146 0.256790 Sb\n0.857175 0.756047 0.237414 Sb\n0.142825 0.243953 0.762586 Sb\n0.107371 0.253146 0.256790 Sb\n0.892629 0.746854 0.743210 Sb\n0.997962 0.237919 0.948801 Se\n0.749017 0.268832 0.551908 Se\n0.249017 0.231168 0.448092 Se\n0.002038 0.762081 0.051199 Se\n0.750983 0.768832 0.551908 Se\n0.497962 0.262081 0.051199 Se\n0.502038 0.737919 0.948801 Se\n0.250983 0.731168 0.448092 Se\n0.391180 0.886366 0.353511 Cl\n0.700465 0.132076 0.865606 Cl\n0.639065 0.111669 0.154159 Cl\n0.451227 0.848450 0.633821 Cl\n0.400032 0.138697 0.115930 Cl\n0.951227 0.651550 0.366179 Cl\n0.666064 0.905576 0.481450 Cl\n0.349165 0.354968 0.395761 Cl\n0.471307 0.634911 0.393701 Cl\n0.227667 0.809732 0.668158 Cl\n0.799535 0.632076 0.865606 Cl\n0.528693 0.365089 0.606299 Cl\n0.166064 0.594424 0.518550 Cl\n0.724051 0.361805 0.095567 Cl\n0.608820 0.113634 0.646489 Cl\n0.590774 0.607194 0.023528 Cl\n0.849165 0.145032 0.604239 Cl\n0.909226 0.107194 0.023528 Cl\n0.275949 0.638195 0.904433 Cl\n0.372654 0.611069 0.178861 Cl\n0.599968 0.861303 0.884070 Cl\n0.548773 0.151550 0.366179 Cl\n0.127346 0.111069 0.178861 Cl\n0.108820 0.386366 0.353511 Cl\n0.860935 0.611669 0.154159 Cl\n0.872654 0.888931 0.821139 Cl\n0.650835 0.645032 0.604239 Cl\n0.200465 0.367924 0.134394 Cl\n0.833936 0.405576 0.481450 Cl\n0.772333 0.190268 0.331842 Cl\n0.048773 0.348450 0.633821 Cl\n0.627346 0.388931 0.821139 Cl\n0.409226 0.392806 0.976472 Cl\n0.775949 0.861805 0.095567 Cl\n0.272333 0.309732 0.668158 Cl\n0.624814 0.408429 0.301007 Cl\n0.099968 0.638697 0.115930 Cl\n0.299535 0.867924 0.134394 Cl\n0.090774 0.892806 0.976472 Cl\n0.360935 0.888331 0.845841 Cl\n0.139065 0.388331 0.845841 Cl\n0.028693 0.134911 0.393701 Cl\n0.477098 0.176916 0.833469 Cl\n0.971307 0.865089 0.606299 Cl\n0.333936 0.094424 0.518550 Cl\n0.727667 0.690268 0.331842 Cl\n0.224051 0.138195 0.904433 Cl\n0.875186 0.908429 0.301007 Cl\n0.522902 0.823084 0.166531 Cl\n0.022902 0.676916 0.833469 Cl\n0.375186 0.591571 0.698993 Cl\n0.977098 0.323084 0.166531 Cl\n0.891180 0.613634 0.646489 Cl\n0.124814 0.091571 0.698993 Cl\n0.150835 0.854968 0.395761 Cl\n0.900032 0.361303 0.884070 Cl\n0.725671 0.307843 0.659262 O\n0.774329 0.807843 0.659262 O\n0.474998 0.686986 0.849222 O\n0.225671 0.192157 0.340738 O\n0.525002 0.313014 0.150778 O\n0.274329 0.692157 0.340738 O\n0.974998 0.813014 0.150778 O\n0.025002 0.186986 0.849222 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Sb",
                "Se",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-O-Sb-Se",
            "density": 2.3976103965670874,
            "density_atomic": 0.031058389893093386,
            "volume": 2575.7935384084417,
            "volume_molar": 19.389739071242634,
            "formula_full": "Sb8 Se8 Cl56 O8",
            "formula_reduced": "SbSeCl7O",
            "formula_anonymous": "ABCD7",
            "energy": -293.21133849,
            "energy_per_atom": -3.665141731125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -253.33133849,
            "band_gap": 1.945,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:45.780000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1214357",
            "created_at": "2022-09-04T14:42:18.222752Z",
            "structure_string": "Ba2 Y4 Mo8 O32\n1.0\n6.385479 2.661974 0.000000\n-6.385479 2.661974 0.000000\n0.000000 0.477775 19.625734\nBa Y Mo O\n2 4 8 32\ndirect\n0.531296 0.468704 0.750000 Ba\n0.468704 0.531296 0.250000 Ba\n0.646473 0.349052 0.967901 Y\n0.353527 0.650948 0.032099 Y\n0.650948 0.353527 0.532099 Y\n0.349052 0.646473 0.467901 Y\n0.929229 0.045930 0.590065 Mo\n0.070771 0.954070 0.409935 Mo\n0.954070 0.070771 0.909935 Mo\n0.045930 0.929229 0.090065 Mo\n0.243414 0.763690 0.647855 Mo\n0.756586 0.236310 0.352145 Mo\n0.236310 0.756586 0.852145 Mo\n0.763690 0.243414 0.147855 Mo\n0.670746 0.011845 0.543910 O\n0.329254 0.988155 0.456090 O\n0.988155 0.329254 0.956090 O\n0.011845 0.670746 0.043910 O\n0.427437 0.908966 0.933466 O\n0.572563 0.091034 0.066534 O\n0.091034 0.572563 0.566534 O\n0.908966 0.427437 0.433466 O\n0.799244 0.963706 0.831017 O\n0.200756 0.036294 0.168983 O\n0.036294 0.200756 0.668983 O\n0.963706 0.799244 0.331017 O\n0.720110 0.815861 0.101940 O\n0.279890 0.184139 0.898060 O\n0.184139 0.279890 0.398060 O\n0.815861 0.720110 0.601940 O\n0.415015 0.116474 0.632420 O\n0.584985 0.883526 0.367580 O\n0.883526 0.584985 0.867580 O\n0.116474 0.415015 0.132420 O\n0.724729 0.759419 0.964874 O\n0.275271 0.240581 0.035126 O\n0.240581 0.275271 0.535126 O\n0.759419 0.724729 0.464874 O\n0.488417 0.765318 0.673897 O\n0.511583 0.234682 0.326103 O\n0.234682 0.511583 0.826103 O\n0.765318 0.488417 0.173897 O\n0.401505 0.013858 0.788807 O\n0.598495 0.986142 0.211193 O\n0.986142 0.598495 0.711193 O\n0.013858 0.401505 0.288807 O\n",
            "nsites": 46,
            "nelements": 4,
            "elements": [
                "Ba",
                "Y",
                "Mo",
                "O"
            ],
            "chemical_system": "Ba-Mo-O-Y",
            "density": 4.7531206122114,
            "density_atomic": 0.0689452955191743,
            "volume": 667.1956317484634,
            "volume_molar": 8.734665236622545,
            "formula_full": "Ba2 Y4 Mo8 O32",
            "formula_reduced": "BaY2(MoO4)4",
            "formula_anonymous": "AB2C4D16",
            "energy": -395.57631819,
            "energy_per_atom": -8.599485178043478,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -347.97631819,
            "band_gap": 3.3185,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 9.03e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:46.532000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-626379",
            "created_at": "2022-09-04T14:42:17.141375Z",
            "structure_string": "Fe4 H4 O8\n1.0\n-5.017259 5.017259 1.502036\n5.017259 -5.017259 1.502036\n5.017259 5.017259 -1.502036\nFe H O\n4 4 8\ndirect\n0.854825 0.655452 0.484718 Fe\n0.170733 0.370106 0.515281 Fe\n0.344548 0.829267 0.199373 Fe\n0.629894 0.145175 0.800627 Fe\n0.001295 0.021704 0.766817 H\n0.254887 0.234478 0.233183 H\n0.978296 0.745113 0.979592 H\n0.765522 0.998705 0.020408 H\n0.829035 0.873693 0.638569 O\n0.235123 0.190466 0.361431 O\n0.126307 0.764877 0.955342 O\n0.809534 0.170965 0.044658 O\n0.827375 0.451663 0.291542 O\n0.160120 0.535833 0.708458 O\n0.548337 0.839880 0.375713 O\n0.464167 0.172625 0.624287 O\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Fe",
                "H",
                "O"
            ],
            "chemical_system": "Fe-H-O",
            "density": 3.9021292596115567,
            "density_atomic": 0.10579048501792399,
            "volume": 151.24233523732437,
            "volume_molar": 5.692516447939221,
            "formula_full": "Fe4 H4 O8",
            "formula_reduced": "FeHO2",
            "formula_anonymous": "ABC2",
            "energy": -108.74250671,
            "energy_per_atom": -6.796406669375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.22250671,
            "band_gap": 1.4417,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 19.9999323,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:42.748000Z",
            "spacegroup": 82
        },
        {
            "id": "mp-705834",
            "created_at": "2022-09-04T14:42:23.222354Z",
            "structure_string": "Ba2 Fe30 O46\n1.0\n5.864190 -0.021737 27.525069\n2.881077 5.107698 27.525069\n-0.037377 -0.021737 28.142793\nBa Fe O\n2 30 46\ndirect\n0.098994 0.098994 0.098994 Ba\n0.901006 0.901006 0.901006 Ba\n0.304576 0.805114 0.304576 Fe\n0.774378 0.273950 0.774378 Fe\n0.774378 0.774378 0.273950 Fe\n0.726050 0.225622 0.225622 Fe\n0.225622 0.225622 0.726050 Fe\n0.748700 0.748700 0.748700 Fe\n0.194886 0.695424 0.695424 Fe\n0.218132 0.218132 0.218132 Fe\n0.637715 0.637715 0.637715 Fe\n0.977665 0.977665 0.977665 Fe\n0.695424 0.194886 0.695424 Fe\n0.175027 0.175027 0.175027 Fe\n0.432929 0.432929 0.432929 Fe\n0.296340 0.296340 0.296340 Fe\n0.824973 0.824973 0.824973 Fe\n0.304576 0.304576 0.805114 Fe\n0.805114 0.304576 0.304576 Fe\n0.500000 0.000000 0.500000 Fe\n0.781868 0.781868 0.781868 Fe\n0.362285 0.362285 0.362285 Fe\n0.225622 0.726050 0.225622 Fe\n0.251300 0.251300 0.251300 Fe\n0.273950 0.774378 0.774378 Fe\n0.703660 0.703660 0.703660 Fe\n0.500000 0.500000 0.000000 Fe\n0.695424 0.695424 0.194886 Fe\n0.567071 0.567071 0.567071 Fe\n0.500000 0.500000 0.500000 Fe\n0.022335 0.022335 0.022335 Fe\n0.000000 0.500000 0.500000 Fe\n0.968011 0.968011 0.443458 O\n0.385078 0.385078 0.933887 O\n0.044522 0.044522 0.044522 O\n0.904289 0.904289 0.402538 O\n0.807304 0.340796 0.807304 O\n0.459011 0.459011 0.459011 O\n0.031989 0.556542 0.031989 O\n0.472963 0.472963 0.925058 O\n0.095711 0.095711 0.597462 O\n0.597462 0.095711 0.095711 O\n0.151625 0.151625 0.151625 O\n0.527037 0.527037 0.074942 O\n0.807304 0.807304 0.340796 O\n0.527037 0.074942 0.527037 O\n0.192696 0.659204 0.192696 O\n0.363961 0.363961 0.815537 O\n0.363961 0.815537 0.363961 O\n0.815537 0.363961 0.363961 O\n0.443458 0.968011 0.968011 O\n0.933887 0.385078 0.385078 O\n0.031989 0.031989 0.556542 O\n0.540989 0.540989 0.540989 O\n0.074942 0.527037 0.527037 O\n0.192696 0.192696 0.659204 O\n0.184463 0.636039 0.636039 O\n0.848375 0.848375 0.848375 O\n0.904289 0.402538 0.904289 O\n0.556542 0.031989 0.031989 O\n0.472963 0.925058 0.472963 O\n0.681053 0.681053 0.681053 O\n0.595326 0.595326 0.595326 O\n0.614922 0.614922 0.066113 O\n0.066113 0.614922 0.614922 O\n0.925058 0.472963 0.472963 O\n0.659204 0.192696 0.192696 O\n0.340796 0.807304 0.807304 O\n0.402538 0.904289 0.904289 O\n0.385078 0.933887 0.385078 O\n0.955478 0.955478 0.955478 O\n0.095711 0.597462 0.095711 O\n0.404674 0.404674 0.404674 O\n0.636039 0.636039 0.184463 O\n0.614922 0.066113 0.614922 O\n0.968011 0.443458 0.968011 O\n0.636039 0.184463 0.636039 O\n0.318947 0.318947 0.318947 O\n",
            "nsites": 78,
            "nelements": 3,
            "elements": [
                "Ba",
                "Fe",
                "O"
            ],
            "chemical_system": "Ba-Fe-O",
            "density": 5.236342214855595,
            "density_atomic": 0.09157382067506128,
            "volume": 851.7718210838187,
            "volume_molar": 6.576268976882425,
            "formula_full": "Ba2 Fe30 O46",
            "formula_reduced": "BaFe15O23",
            "formula_anonymous": "AB15C23",
            "energy": -606.32288508,
            "energy_per_atom": -7.7733703215384615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -507.04088508,
            "band_gap": 0.7532000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 11.9994794,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:44.929000Z",
            "spacegroup": 166
        },
        {
            "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-562569",
            "created_at": "2022-09-04T14:42:27.205657Z",
            "structure_string": "Cs4 P4 Pb4 S16\n1.0\n6.509712 0.000000 0.000000\n0.000000 6.892853 0.000000\n0.000000 0.000000 18.411960\nCs P Pb S\n4 4 4 16\ndirect\n0.937195 0.750000 0.795466 Cs\n0.062805 0.250000 0.204534 Cs\n0.437195 0.250000 0.704534 Cs\n0.562805 0.750000 0.295466 Cs\n0.216999 0.250000 0.907214 P\n0.283001 0.250000 0.407214 P\n0.716999 0.750000 0.592786 P\n0.783001 0.750000 0.092786 P\n0.211376 0.750000 0.515685 Pb\n0.288624 0.750000 0.015685 Pb\n0.788624 0.250000 0.484315 Pb\n0.711376 0.250000 0.984315 Pb\n0.392408 0.490949 0.884887 S\n0.150882 0.250000 0.016886 S\n0.107592 0.490949 0.384887 S\n0.452574 0.750000 0.652776 S\n0.607592 0.990949 0.115113 S\n0.392408 0.009051 0.884887 S\n0.107592 0.009051 0.384887 S\n0.349118 0.250000 0.516886 S\n0.849118 0.750000 0.983114 S\n0.047426 0.750000 0.152776 S\n0.547426 0.250000 0.347224 S\n0.892408 0.509051 0.615113 S\n0.952574 0.250000 0.847224 S\n0.607592 0.509051 0.115113 S\n0.892408 0.990949 0.615113 S\n0.650882 0.750000 0.483114 S\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Cs",
                "P",
                "Pb",
                "S"
            ],
            "chemical_system": "Cs-P-Pb-S",
            "density": 4.014615412353292,
            "density_atomic": 0.03389200149331255,
            "volume": 826.153628180527,
            "volume_molar": 17.76861942245656,
            "formula_full": "Cs4 P4 Pb4 S16",
            "formula_reduced": "CsPPbS4",
            "formula_anonymous": "ABCD4",
            "energy": -133.71636349,
            "energy_per_atom": -4.775584410357142,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.66836349000002,
            "band_gap": 2.3363,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0005519,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:51.119000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-776532",
            "created_at": "2022-09-04T14:42:27.534846Z",
            "structure_string": "Hf2 O4\n1.0\n4.859449 0.000000 0.000000\n0.000000 4.859449 0.000000\n0.000000 0.000000 3.224531\nHf O\n2 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.805259 0.194741 0.500000 O\n0.305259 0.305259 0.000000 O\n0.694741 0.694741 0.000000 O\n0.194741 0.805259 0.500000 O\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Hf",
                "O"
            ],
            "chemical_system": "Hf-O",
            "density": 9.180524029890979,
            "density_atomic": 0.07879717302441515,
            "volume": 76.1448637014035,
            "volume_molar": 7.642584789347775,
            "formula_full": "Hf2 O4",
            "formula_reduced": "HfO2",
            "formula_anonymous": "AB2",
            "energy": -63.67607104,
            "energy_per_atom": -10.612678506666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -60.92807104,
            "band_gap": 3.9025,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002343,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:48.325000Z",
            "spacegroup": 136
        }
    ]
}