GET /third-parties/MatprojStructure/?format=api&ordering=nsites&page=12161
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=nsites&page=12162",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=12160",
    "results": [
        {
            "id": "mp-776402",
            "created_at": "2022-09-04T14:47:19.156502Z",
            "structure_string": "B80 H104\n1.0\n10.729184 0.000000 0.000000\n0.000000 10.861153 0.000000\n0.000000 0.000000 14.805902\nB H\n80 104\ndirect\n0.931981 0.991259 0.343551 B\n0.568019 0.991259 0.843551 B\n0.773425 0.986234 0.315296 B\n0.726575 0.986234 0.815296 B\n0.684325 0.976119 0.416562 B\n0.815675 0.976119 0.916562 B\n0.947847 0.966652 0.462673 B\n0.552153 0.966652 0.962673 B\n0.705195 0.943565 0.003168 B\n0.794805 0.943565 0.503168 B\n0.322064 0.943063 0.081559 B\n0.177936 0.943063 0.581559 B\n0.500313 0.852926 0.883156 B\n0.999687 0.852926 0.383156 B\n0.891250 0.851988 0.291722 B\n0.608750 0.851988 0.791722 B\n0.911808 0.809597 0.479870 B\n0.588192 0.809597 0.979870 B\n0.395701 0.767303 0.374001 B\n0.104299 0.767303 0.874001 B\n0.895701 0.732697 0.374001 B\n0.604299 0.732697 0.874001 B\n0.411808 0.690403 0.479870 B\n0.088192 0.690403 0.979870 B\n0.391250 0.648012 0.291722 B\n0.108750 0.648012 0.791722 B\n0.000313 0.647074 0.883156 B\n0.499687 0.647074 0.383156 B\n0.822064 0.556937 0.081559 B\n0.677936 0.556937 0.581559 B\n0.205195 0.556435 0.003168 B\n0.294805 0.556435 0.503168 B\n0.447847 0.533348 0.462673 B\n0.052153 0.533348 0.962673 B\n0.315675 0.523881 0.916562 B\n0.184325 0.523881 0.416562 B\n0.273425 0.513766 0.315296 B\n0.226575 0.513766 0.815296 B\n0.431981 0.508741 0.343551 B\n0.068019 0.508741 0.843551 B\n0.931981 0.491259 0.156449 B\n0.568019 0.491259 0.656449 B\n0.773425 0.486234 0.184704 B\n0.726575 0.486234 0.684704 B\n0.684325 0.476119 0.083438 B\n0.815675 0.476119 0.583438 B\n0.947847 0.466652 0.037327 B\n0.552153 0.466652 0.537327 B\n0.705195 0.443565 0.496832 B\n0.794805 0.443565 0.996832 B\n0.322064 0.443063 0.418441 B\n0.177936 0.443063 0.918441 B\n0.500313 0.352926 0.616844 B\n0.999687 0.352926 0.116844 B\n0.891250 0.351988 0.208278 B\n0.608750 0.351988 0.708278 B\n0.911808 0.309597 0.020130 B\n0.588192 0.309597 0.520130 B\n0.395701 0.267303 0.125999 B\n0.104299 0.267303 0.625999 B\n0.895701 0.232697 0.125999 B\n0.604299 0.232697 0.625999 B\n0.411808 0.190403 0.020130 B\n0.088192 0.190403 0.520130 B\n0.391250 0.148012 0.208278 B\n0.108750 0.148012 0.708278 B\n0.000313 0.147074 0.616844 B\n0.499687 0.147074 0.116844 B\n0.822064 0.056937 0.418441 B\n0.677936 0.056937 0.918441 B\n0.294805 0.056435 0.996832 B\n0.205195 0.056435 0.496832 B\n0.447847 0.033348 0.037327 B\n0.052153 0.033348 0.537327 B\n0.315675 0.023881 0.583438 B\n0.184325 0.023881 0.083438 B\n0.273425 0.013766 0.184704 B\n0.226575 0.013766 0.684704 B\n0.431981 0.008741 0.156449 B\n0.068019 0.008741 0.656449 B\n0.080154 0.989163 0.071437 H\n0.419846 0.989163 0.571437 H\n0.231234 0.962785 0.249246 H\n0.268766 0.962785 0.749246 H\n0.735506 0.961817 0.079701 H\n0.764494 0.961817 0.579701 H\n0.493979 0.941110 0.201681 H\n0.006021 0.941110 0.701681 H\n0.684077 0.908696 0.340291 H\n0.815923 0.908696 0.840291 H\n0.700543 0.878007 0.469905 H\n0.799457 0.878007 0.969905 H\n0.412159 0.873623 0.359346 H\n0.087841 0.873623 0.859346 H\n0.318998 0.834545 0.068793 H\n0.181002 0.834545 0.568793 H\n0.108419 0.833277 0.373175 H\n0.391581 0.833277 0.873175 H\n0.916540 0.828173 0.215059 H\n0.583460 0.828173 0.715059 H\n0.806950 0.768793 0.315287 H\n0.693050 0.768793 0.815287 H\n0.320976 0.760345 0.446152 H\n0.179024 0.760345 0.946152 H\n0.948592 0.751436 0.542927 H\n0.551408 0.751436 0.042927 H\n0.051408 0.748564 0.042927 H\n0.448592 0.748564 0.542927 H\n0.820976 0.739655 0.446152 H\n0.679024 0.739655 0.946152 H\n0.306950 0.731207 0.315287 H\n0.193050 0.731207 0.815287 H\n0.416540 0.671827 0.215059 H\n0.083460 0.671827 0.715059 H\n0.891581 0.666723 0.873175 H\n0.608419 0.666723 0.373175 H\n0.818998 0.665455 0.068793 H\n0.681002 0.665455 0.568793 H\n0.912159 0.626377 0.359346 H\n0.587841 0.626377 0.859346 H\n0.200543 0.621993 0.469905 H\n0.299457 0.621993 0.969905 H\n0.315923 0.591304 0.840291 H\n0.184077 0.591304 0.340291 H\n0.993979 0.558890 0.201681 H\n0.506021 0.558890 0.701681 H\n0.235506 0.538183 0.079701 H\n0.264494 0.538183 0.579701 H\n0.731234 0.537215 0.249246 H\n0.768766 0.537215 0.749246 H\n0.580154 0.510837 0.071437 H\n0.919846 0.510837 0.571437 H\n0.419846 0.489163 0.928563 H\n0.080154 0.489163 0.428563 H\n0.231234 0.462785 0.250754 H\n0.268766 0.462785 0.750754 H\n0.735506 0.461817 0.420299 H\n0.764494 0.461817 0.920299 H\n0.493979 0.441110 0.298319 H\n0.006021 0.441110 0.798319 H\n0.684077 0.408696 0.159709 H\n0.815923 0.408696 0.659709 H\n0.700543 0.378007 0.030095 H\n0.799457 0.378007 0.530095 H\n0.412159 0.373623 0.140654 H\n0.087841 0.373623 0.640654 H\n0.318998 0.334545 0.431207 H\n0.181002 0.334545 0.931207 H\n0.391581 0.333277 0.626825 H\n0.108419 0.333277 0.126825 H\n0.916540 0.328173 0.284941 H\n0.583460 0.328173 0.784941 H\n0.806950 0.268793 0.184713 H\n0.693050 0.268793 0.684713 H\n0.320976 0.260345 0.053848 H\n0.179024 0.260345 0.553848 H\n0.551408 0.251436 0.457073 H\n0.948592 0.251436 0.957073 H\n0.448592 0.248564 0.957073 H\n0.051408 0.248564 0.457073 H\n0.820976 0.239655 0.053848 H\n0.679024 0.239655 0.553848 H\n0.306950 0.231207 0.184713 H\n0.193050 0.231207 0.684713 H\n0.416540 0.171827 0.284941 H\n0.083460 0.171827 0.784941 H\n0.891581 0.166723 0.626825 H\n0.608419 0.166723 0.126825 H\n0.818998 0.165455 0.431207 H\n0.681002 0.165455 0.931207 H\n0.912159 0.126377 0.140654 H\n0.587841 0.126377 0.640654 H\n0.299457 0.121993 0.530095 H\n0.200543 0.121993 0.030095 H\n0.315923 0.091304 0.659709 H\n0.184077 0.091304 0.159709 H\n0.993979 0.058890 0.298319 H\n0.506021 0.058890 0.798319 H\n0.264494 0.038183 0.920299 H\n0.235506 0.038183 0.420299 H\n0.768766 0.037215 0.750754 H\n0.731234 0.037215 0.250754 H\n0.919846 0.010837 0.928563 H\n0.580154 0.010837 0.428563 H\n",
            "nsites": 184,
            "nelements": 2,
            "elements": [
                "B",
                "H"
            ],
            "chemical_system": "B-H",
            "density": 0.9332791798062577,
            "density_atomic": 0.10664495802982278,
            "volume": 1725.3511408251034,
            "volume_molar": 5.6469062122148665,
            "formula_full": "B80 H104",
            "formula_reduced": "B10H13",
            "formula_anonymous": "A10B13",
            "energy": -920.6135527599998,
            "energy_per_atom": -5.0033345258695645,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -901.99755276,
            "band_gap": 3.206,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:04.648000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1196572",
            "created_at": "2022-09-04T14:47:13.696786Z",
            "structure_string": "K4 Y4 H56 C48 O72\n1.0\n8.364172 0.000000 -0.070200\n-0.014452 -0.000000 12.110948\n4.182086 -18.971483 -0.035099\nK Y H C O\n4 4 56 48 72\ndirect\n0.059557 0.750000 0.880886 K\n0.940443 0.250000 0.119114 K\n0.439867 0.750000 0.120266 K\n0.560133 0.250000 0.879734 K\n0.174614 0.750000 0.650773 Y\n0.825386 0.250000 0.349227 Y\n0.323176 0.750000 0.353649 Y\n0.676824 0.250000 0.646351 Y\n0.248719 0.874790 0.000116 H\n0.751165 0.625210 0.000116 H\n0.751281 0.125210 0.999884 H\n0.248835 0.374790 0.999884 H\n0.747357 0.888420 0.001733 H\n0.250910 0.611580 0.001733 H\n0.252643 0.111580 0.998267 H\n0.749090 0.388420 0.998267 H\n0.941359 0.895180 0.754520 H\n0.304121 0.604820 0.754520 H\n0.058641 0.104820 0.245480 H\n0.695879 0.395180 0.245480 H\n0.121726 0.942042 0.751002 H\n0.127272 0.557958 0.751002 H\n0.878274 0.057958 0.248998 H\n0.872728 0.442042 0.248998 H\n0.830299 0.652312 0.668520 H\n0.501181 0.847688 0.668520 H\n0.169701 0.347688 0.331480 H\n0.498819 0.152312 0.331480 H\n0.868372 0.658570 0.747058 H\n0.384570 0.841430 0.747058 H\n0.131628 0.341430 0.252942 H\n0.615430 0.158570 0.252942 H\n0.039560 0.955203 0.591045 H\n0.369395 0.544797 0.591045 H\n0.960440 0.044797 0.408955 H\n0.630605 0.455203 0.408955 H\n0.877318 0.881282 0.612301 H\n0.510381 0.618718 0.612301 H\n0.122682 0.118718 0.387699 H\n0.489619 0.381282 0.387699 H\n0.186558 0.605739 0.249732 H\n0.563709 0.894261 0.249732 H\n0.813442 0.394261 0.750267 H\n0.436291 0.105739 0.750267 H\n0.355363 0.552474 0.257244 H\n0.387393 0.947526 0.257244 H\n0.644637 0.447526 0.742756 H\n0.612607 0.052474 0.742756 H\n0.218398 0.859150 0.492046 H\n0.289556 0.640850 0.492046 H\n0.781602 0.140850 0.507954 H\n0.710444 0.359150 0.507954 H\n0.060446 0.871841 0.457164 H\n0.482390 0.628159 0.457164 H\n0.939554 0.128159 0.542836 H\n0.517610 0.371841 0.542836 H\n0.009405 0.860473 0.333462 H\n0.657133 0.639527 0.333462 H\n0.990595 0.139527 0.666538 H\n0.342867 0.360473 0.666538 H\n0.123513 0.857883 0.255410 H\n0.621077 0.642117 0.255410 H\n0.876487 0.142117 0.744590 H\n0.378923 0.357883 0.744590 H\n0.990814 0.637882 0.525200 C\n0.483986 0.862118 0.525200 C\n0.009186 0.362118 0.474800 C\n0.516014 0.137882 0.474800 C\n0.813282 0.621954 0.548328 C\n0.638390 0.878046 0.548328 C\n0.186718 0.378046 0.451672 C\n0.361610 0.121954 0.451672 C\n0.801083 0.612988 0.472976 C\n0.725942 0.887012 0.472976 C\n0.198917 0.387012 0.527024 C\n0.274058 0.112988 0.527024 C\n0.979974 0.633523 0.451015 C\n0.569011 0.866477 0.451015 C\n0.020026 0.366477 0.548985 C\n0.430989 0.133523 0.548985 C\n0.013155 0.884767 0.066887 C\n0.919957 0.615233 0.066887 C\n0.986845 0.115233 0.933113 C\n0.080043 0.384767 0.933113 C\n0.041985 0.883449 0.138926 C\n0.819089 0.616551 0.138926 C\n0.958015 0.116551 0.861074 C\n0.180911 0.383449 0.861074 C\n0.863035 0.899020 0.166911 C\n0.970055 0.600980 0.166911 C\n0.136965 0.100980 0.833089 C\n0.029945 0.399020 0.833089 C\n0.839012 0.892174 0.094291 C\n0.066697 0.607826 0.094291 C\n0.160988 0.107826 0.905709 C\n0.933303 0.392174 0.905709 C\n0.677966 0.616446 0.863322 C\n0.458711 0.883554 0.863322 C\n0.322034 0.383554 0.136678 C\n0.541289 0.116446 0.136678 C\n0.524566 0.600364 0.836200 C\n0.639234 0.899636 0.836200 C\n0.475434 0.399635 0.163800 C\n0.360766 0.100364 0.163800 C\n0.431015 0.608205 0.909921 C\n0.659064 0.891795 0.909921 C\n0.568985 0.391795 0.090079 C\n0.340936 0.108205 0.090079 C\n0.579827 0.616298 0.935571 C\n0.484602 0.883702 0.935571 C\n0.420173 0.383702 0.064429 C\n0.515398 0.116298 0.064429 C\n0.110796 0.650206 0.555902 O\n0.333303 0.849794 0.555902 O\n0.889204 0.349794 0.444098 O\n0.666697 0.150206 0.444098 O\n0.716345 0.620992 0.607862 O\n0.675792 0.879008 0.607862 O\n0.283655 0.379008 0.392138 O\n0.324208 0.120992 0.392138 O\n0.688167 0.596944 0.440125 O\n0.871708 0.903056 0.440125 O\n0.311833 0.403056 0.559875 O\n0.128292 0.096944 0.559875 O\n0.079216 0.645029 0.392854 O\n0.527930 0.854971 0.392854 O\n0.920784 0.354971 0.607146 O\n0.472070 0.145029 0.607146 O\n0.100795 0.876943 0.004100 O\n0.895105 0.623057 0.004100 O\n0.899205 0.123057 0.995900 O\n0.104895 0.376943 0.995900 O\n0.161873 0.868314 0.166587 O\n0.671541 0.631686 0.166587 O\n0.838127 0.131686 0.833413 O\n0.328459 0.368314 0.833413 O\n0.776443 0.912443 0.227236 O\n0.996321 0.587557 0.227236 O\n0.223557 0.087557 0.772764 O\n0.003679 0.412443 0.772764 O\n0.712109 0.888297 0.067042 O\n0.220849 0.611703 0.067042 O\n0.287891 0.111703 0.932958 O\n0.779151 0.388297 0.932958 O\n0.825665 0.631836 0.835602 O\n0.338733 0.868164 0.835602 O\n0.174335 0.368164 0.164398 O\n0.661267 0.131836 0.164398 O\n0.496794 0.586746 0.776426 O\n0.726780 0.913254 0.776426 O\n0.503206 0.413254 0.223574 O\n0.273220 0.086746 0.223574 O\n0.277533 0.611749 0.939005 O\n0.783462 0.888251 0.939005 O\n0.722467 0.388251 0.060995 O\n0.216538 0.111749 0.060995 O\n0.609115 0.625511 0.997614 O\n0.393271 0.874489 0.997614 O\n0.390885 0.374489 0.002386 O\n0.606729 0.125511 0.002386 O\n0.058322 0.873394 0.749878 O\n0.191800 0.626606 0.749878 O\n0.941678 0.126606 0.250122 O\n0.808200 0.373394 0.250122 O\n0.912795 0.676032 0.696418 O\n0.390787 0.823968 0.696418 O\n0.087205 0.323968 0.303582 O\n0.609213 0.176032 0.303582 O\n0.999006 0.881811 0.608847 O\n0.392148 0.618189 0.608847 O\n0.000994 0.118189 0.391153 O\n0.607852 0.381811 0.391153 O\n0.299458 0.623345 0.256206 O\n0.444336 0.876655 0.256206 O\n0.700542 0.376655 0.743794 O\n0.555664 0.123345 0.743794 O\n0.179991 0.857625 0.447000 O\n0.373009 0.642375 0.447000 O\n0.820009 0.142375 0.553000 O\n0.626991 0.357625 0.553000 O\n0.120969 0.848026 0.306831 O\n0.572200 0.651974 0.306831 O\n0.879031 0.151974 0.693169 O\n0.427800 0.348026 0.693169 O\n",
            "nsites": 184,
            "nelements": 5,
            "elements": [
                "K",
                "Y",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-H-K-O-Y",
            "density": 1.9847195232758092,
            "density_atomic": 0.09574581431621595,
            "volume": 1921.7550272465216,
            "volume_molar": 6.289717000171842,
            "formula_full": "K4 Y4 H56 C48 O72",
            "formula_reduced": "KYH14(C2O3)6",
            "formula_anonymous": "ABC12D14E18",
            "energy": -1247.87052101,
            "energy_per_atom": -6.78190500548913,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1198.40652101,
            "band_gap": 2.3063,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:00.709000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-686484",
            "created_at": "2022-09-04T14:44:03.948359Z",
            "structure_string": "Li4 Ca36 Mg4 P28 O112\n1.0\n10.418717 0.000000 0.000000\n-5.209249 12.824830 0.000000\n-0.000042 -4.231887 17.542243\nLi Ca Mg P O\n4 36 4 28 112\ndirect\n0.763921 0.533358 0.923600 Li\n0.222588 0.443489 0.405098 Li\n0.965845 0.939402 0.656661 Li\n0.467806 0.939616 0.154467 Li\n0.306950 0.207098 0.964954 Ca\n0.607823 0.208431 0.672848 Ca\n0.314680 0.029822 0.767674 Ca\n0.891083 0.201378 0.967805 Ca\n0.508907 0.034928 0.973108 Ca\n0.723957 0.029915 0.775244 Ca\n0.155762 0.709181 0.712587 Ca\n0.345874 0.708676 0.920029 Ca\n0.564260 0.708563 0.717375 Ca\n0.804725 0.208757 0.462817 Ca\n0.112385 0.208639 0.171520 Ca\n0.934951 0.311062 0.785508 Ca\n0.167489 0.312729 0.575286 Ca\n0.819944 0.029228 0.263745 Ca\n0.365996 0.312861 0.795627 Ca\n0.390634 0.203944 0.470812 Ca\n0.001104 0.027638 0.474661 Ca\n0.219378 0.026014 0.276800 Ca\n0.626834 0.811395 0.529629 Ca\n0.653352 0.709483 0.213762 Ca\n0.845617 0.706569 0.418407 Ca\n0.063513 0.705702 0.217200 Ca\n0.896364 0.813060 0.824422 Ca\n0.199958 0.814812 0.549260 Ca\n0.560087 0.526644 0.524518 Ca\n0.956719 0.527464 0.516369 Ca\n0.430501 0.311465 0.283553 Ca\n0.773073 0.530473 0.723313 Ca\n0.666617 0.310426 0.075784 Ca\n0.861495 0.309411 0.299269 Ca\n0.127035 0.809717 0.031498 Ca\n0.386868 0.808078 0.325176 Ca\n0.698008 0.814599 0.050517 Ca\n0.055930 0.526924 0.023268 Ca\n0.455098 0.527497 0.016120 Ca\n0.276995 0.527286 0.224252 Ca\n0.001069 0.000978 0.002675 Mg\n0.503814 0.002206 0.498795 Mg\n0.253093 0.498795 0.751210 Mg\n0.753940 0.502703 0.251345 Mg\n0.602214 0.206208 0.865026 P\n0.199520 0.910834 0.890490 P\n0.478954 0.912993 0.655880 P\n0.690750 0.911735 0.911164 P\n0.026902 0.598851 0.845111 P\n0.318823 0.595536 0.586311 P\n0.961205 0.410736 0.640398 P\n0.552429 0.597782 0.865300 P\n0.188230 0.412098 0.909672 P\n0.474577 0.408341 0.660618 P\n0.101103 0.203936 0.364747 P\n0.828105 0.101673 0.595695 P\n0.698630 0.910353 0.388871 P\n0.979752 0.913010 0.156431 P\n0.032392 0.098446 0.839974 P\n0.289869 0.101045 0.617463 P\n0.188574 0.914232 0.411042 P\n0.525466 0.602187 0.347688 P\n0.822414 0.600356 0.090832 P\n0.852669 0.705712 0.620420 P\n0.456051 0.406851 0.137873 P\n0.056653 0.600907 0.364333 P\n0.685279 0.409365 0.409799 P\n0.969494 0.411594 0.159545 P\n0.326324 0.099375 0.094482 P\n0.527897 0.100165 0.336751 P\n0.789080 0.096081 0.116654 P\n0.350907 0.701237 0.116200 P\n0.481592 0.243337 0.873967 O\n0.692832 0.243988 0.805685 O\n0.691865 0.244624 0.944141 O\n0.297235 0.031017 0.904281 O\n0.539685 0.077381 0.844642 O\n0.526842 0.032346 0.692117 O\n0.153120 0.875178 0.803723 O\n0.072408 0.892187 0.936113 O\n0.451187 0.892097 0.568638 O\n0.723781 0.031981 0.914915 O\n0.333368 0.854113 0.688245 O\n0.588737 0.873659 0.675093 O\n0.291502 0.854506 0.914733 O\n0.968618 0.667046 0.803556 O\n0.563388 0.877632 0.959259 O\n0.649897 0.847189 0.822513 O\n0.218886 0.647273 0.562665 O\n0.809626 0.888986 0.939384 O\n0.474894 0.668667 0.585792 O\n0.055473 0.647310 0.933649 O\n0.986694 0.534019 0.654704 O\n0.163952 0.601433 0.808569 O\n0.302055 0.599946 0.676923 O\n0.902224 0.483246 0.829606 O\n0.287854 0.488141 0.537087 O\n0.437646 0.601451 0.816989 O\n0.556076 0.673302 0.946055 O\n0.969702 0.371282 0.552250 O\n0.810425 0.352017 0.667044 O\n0.693792 0.641157 0.830543 O\n0.259327 0.534356 0.942468 O\n0.549165 0.531831 0.664765 O\n0.072880 0.392037 0.684010 O\n0.986414 0.247033 0.373957 O\n0.036534 0.374143 0.928342 O\n0.188242 0.388155 0.816228 O\n0.194333 0.248664 0.304282 O\n0.328097 0.389397 0.694731 O\n0.531733 0.486187 0.879023 O\n0.449799 0.349404 0.574644 O\n0.187403 0.242955 0.446175 O\n0.694211 0.100932 0.562260 O\n0.947473 0.164612 0.555048 O\n0.565623 0.373434 0.708465 O\n0.263319 0.348637 0.936555 O\n0.833924 0.141267 0.684917 O\n0.800529 0.034296 0.406930 O\n0.043681 0.082354 0.349240 O\n0.028506 0.031402 0.194021 O\n0.940946 0.168382 0.835049 O\n0.203704 0.147427 0.577800 O\n0.653640 0.873698 0.299898 O\n0.573985 0.892986 0.435683 O\n0.957037 0.890771 0.067253 O\n0.833330 0.981220 0.579650 O\n0.356942 0.165983 0.693504 O\n0.177567 0.143258 0.814785 O\n0.224992 0.027888 0.414917 O\n0.831763 0.848540 0.184498 O\n0.048029 0.101417 0.922524 O\n0.410709 0.097192 0.564768 O\n0.095647 0.876555 0.175785 O\n0.783728 0.849799 0.414827 O\n0.949104 0.988286 0.786186 O\n0.193788 0.983681 0.624179 O\n0.467067 0.665376 0.304128 O\n0.065970 0.876700 0.456785 O\n0.152749 0.849558 0.326029 O\n0.721744 0.646237 0.059439 O\n0.312466 0.890765 0.444673 O\n0.976066 0.666594 0.084767 O\n0.555475 0.645562 0.435357 O\n0.794716 0.744516 0.555685 O\n0.483373 0.532756 0.158424 O\n0.662240 0.603275 0.308663 O\n0.810098 0.604263 0.175871 O\n0.809634 0.745170 0.696292 O\n0.014319 0.742966 0.621154 O\n0.403936 0.483505 0.327560 O\n0.788143 0.483235 0.035922 O\n0.940839 0.602873 0.316081 O\n0.059857 0.671720 0.446225 O\n0.463974 0.372218 0.054403 O\n0.307743 0.349670 0.164736 O\n0.191264 0.640613 0.324068 O\n0.755015 0.534139 0.445384 O\n0.788446 0.577723 0.594690 O\n0.058055 0.534813 0.166293 O\n0.564559 0.391019 0.183530 O\n0.533484 0.373081 0.429274 O\n0.683051 0.386676 0.320019 O\n0.834092 0.390080 0.193258 O\n0.039021 0.488512 0.376425 O\n0.947044 0.350393 0.071286 O\n0.194854 0.103947 0.060998 O\n0.449829 0.168859 0.057839 O\n0.064439 0.372693 0.209177 O\n0.768420 0.351512 0.439656 O\n0.339535 0.143692 0.184974 O\n0.442735 0.169436 0.331071 O\n0.698736 0.145311 0.074301 O\n0.328923 0.983953 0.077986 O\n0.863125 0.171749 0.195604 O\n0.680530 0.145099 0.309898 O\n0.542067 0.100991 0.426726 O\n0.912448 0.101699 0.067507 O\n0.450127 0.983029 0.285679 O\n0.694102 0.983230 0.127511 O\n0.297658 0.748420 0.056887 O\n0.306418 0.748171 0.198707 O\n0.517458 0.745677 0.120405 O\n0.292069 0.578959 0.094657 O\n",
            "nsites": 184,
            "nelements": 5,
            "elements": [
                "Li",
                "Ca",
                "Mg",
                "P",
                "O"
            ],
            "chemical_system": "Ca-Li-Mg-O-P",
            "density": 2.9945347040132932,
            "density_atomic": 0.0784994911762178,
            "volume": 2343.964237767501,
            "volume_molar": 7.671566617522826,
            "formula_full": "Li4 Ca36 Mg4 P28 O112",
            "formula_reduced": "LiCa9Mg(PO4)7",
            "formula_anonymous": "ABC7D9E28",
            "energy": -1388.71649575,
            "energy_per_atom": -7.547372259510869,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1311.77249575,
            "band_gap": 4.7063,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003017,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:20.501000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-849788",
            "created_at": "2022-09-04T14:44:27.829961Z",
            "structure_string": "Ni8 P8 H96 O72\n1.0\n7.313428 0.000000 0.000000\n0.000000 11.315761 0.000000\n0.000000 0.000000 18.525265\nNi P H O\n8 8 96 72\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.199556 0.675394 Ni\n0.500000 0.300444 0.175394 Ni\n0.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.699556 0.824606 Ni\n0.000000 0.800444 0.324606 Ni\n0.500000 0.113110 0.857662 P\n0.000000 0.206698 0.312959 P\n0.500000 0.293302 0.812959 P\n0.000000 0.386890 0.357662 P\n0.000000 0.613110 0.642338 P\n0.500000 0.706698 0.187041 P\n0.000000 0.793302 0.687041 P\n0.500000 0.886890 0.142338 P\n0.183399 0.994190 0.681894 H\n0.816601 0.994190 0.681894 H\n0.111781 0.051297 0.866835 H\n0.888219 0.051297 0.866835 H\n0.262582 0.077687 0.743954 H\n0.737418 0.077687 0.743954 H\n0.608153 0.085297 0.631674 H\n0.391847 0.085297 0.631674 H\n0.318379 0.094040 0.164046 H\n0.681621 0.094040 0.164046 H\n0.242758 0.127563 0.424444 H\n0.757242 0.127563 0.424444 H\n0.685309 0.124279 0.984949 H\n0.314691 0.124279 0.984949 H\n0.107945 0.126079 0.539618 H\n0.892055 0.126079 0.539618 H\n0.226562 0.150640 0.063346 H\n0.773438 0.150640 0.063346 H\n0.327152 0.207862 0.486571 H\n0.672848 0.207862 0.486571 H\n0.178363 0.198472 0.182061 H\n0.821637 0.198472 0.182061 H\n0.389878 0.208915 0.303934 H\n0.610122 0.208915 0.303934 H\n0.110122 0.291085 0.803934 H\n0.889878 0.291085 0.803934 H\n0.321637 0.301528 0.682061 H\n0.678363 0.301528 0.682061 H\n0.172848 0.292138 0.986571 H\n0.827152 0.292138 0.986571 H\n0.273438 0.349360 0.563346 H\n0.726562 0.349360 0.563346 H\n0.607945 0.373921 0.039618 H\n0.392055 0.373921 0.039618 H\n0.814691 0.375721 0.484949 H\n0.185309 0.375721 0.484949 H\n0.257242 0.372437 0.924444 H\n0.742758 0.372437 0.924444 H\n0.818379 0.405960 0.664046 H\n0.181621 0.405960 0.664046 H\n0.891847 0.414703 0.131674 H\n0.108153 0.414703 0.131674 H\n0.762582 0.422313 0.243954 H\n0.237418 0.422313 0.243954 H\n0.388219 0.448703 0.366835 H\n0.611781 0.448703 0.366835 H\n0.316601 0.505810 0.181894 H\n0.683399 0.505810 0.181894 H\n0.316601 0.494190 0.818106 H\n0.683399 0.494190 0.818106 H\n0.388219 0.551297 0.633165 H\n0.611781 0.551297 0.633165 H\n0.237418 0.577687 0.756046 H\n0.762582 0.577687 0.756046 H\n0.108153 0.585297 0.868326 H\n0.891847 0.585297 0.868326 H\n0.181621 0.594040 0.335954 H\n0.818379 0.594040 0.335954 H\n0.257242 0.627563 0.075556 H\n0.742758 0.627563 0.075556 H\n0.185309 0.624279 0.515051 H\n0.814691 0.624279 0.515051 H\n0.392055 0.626079 0.960382 H\n0.607945 0.626079 0.960382 H\n0.273438 0.650640 0.436654 H\n0.726562 0.650640 0.436654 H\n0.172848 0.707862 0.013429 H\n0.827152 0.707862 0.013429 H\n0.321637 0.698472 0.317939 H\n0.678363 0.698472 0.317939 H\n0.110122 0.708915 0.196066 H\n0.889878 0.708915 0.196066 H\n0.389878 0.791085 0.696066 H\n0.610122 0.791085 0.696066 H\n0.178363 0.801528 0.817939 H\n0.821637 0.801528 0.817939 H\n0.327152 0.792138 0.513429 H\n0.672848 0.792138 0.513429 H\n0.226562 0.849360 0.936654 H\n0.773438 0.849360 0.936654 H\n0.107945 0.873921 0.460382 H\n0.892055 0.873921 0.460382 H\n0.314691 0.875721 0.015051 H\n0.685309 0.875721 0.015051 H\n0.242758 0.872437 0.575556 H\n0.757242 0.872437 0.575556 H\n0.318379 0.905960 0.835954 H\n0.681621 0.905960 0.835954 H\n0.391847 0.914703 0.368326 H\n0.608153 0.914703 0.368326 H\n0.262582 0.922313 0.256046 H\n0.737418 0.922313 0.256046 H\n0.111781 0.948703 0.133165 H\n0.888219 0.948703 0.133165 H\n0.183399 0.005810 0.318106 H\n0.816601 0.005810 0.318106 H\n0.000000 0.022863 0.891817 O\n0.325349 0.053337 0.827258 O\n0.674651 0.053337 0.827258 O\n0.213273 0.079552 0.693000 O\n0.786727 0.079552 0.693000 O\n0.500000 0.082438 0.598932 O\n0.500000 0.117690 0.940389 O\n0.707121 0.124389 0.475331 O\n0.292879 0.124389 0.475331 O\n0.194538 0.138232 0.011494 O\n0.805462 0.138232 0.011494 O\n0.000000 0.127411 0.571897 O\n0.176735 0.144423 0.340042 O\n0.823265 0.144423 0.340042 O\n0.292389 0.179318 0.152588 O\n0.707611 0.179318 0.152588 O\n0.000000 0.219623 0.230286 O\n0.500000 0.248933 0.284295 O\n0.000000 0.251067 0.784295 O\n0.500000 0.280377 0.730286 O\n0.207611 0.320682 0.652588 O\n0.792389 0.320682 0.652588 O\n0.323265 0.355577 0.840042 O\n0.676735 0.355577 0.840042 O\n0.500000 0.372589 0.071897 O\n0.305462 0.361768 0.511494 O\n0.694538 0.361768 0.511494 O\n0.792879 0.375611 0.975331 O\n0.207121 0.375611 0.975331 O\n0.000000 0.382310 0.440389 O\n0.000000 0.417562 0.098932 O\n0.713273 0.420448 0.193000 O\n0.286727 0.420448 0.193000 O\n0.825349 0.446663 0.327258 O\n0.174651 0.446663 0.327258 O\n0.500000 0.477137 0.391817 O\n0.500000 0.522863 0.608183 O\n0.174651 0.553337 0.672742 O\n0.825349 0.553337 0.672742 O\n0.286727 0.579552 0.807000 O\n0.713273 0.579552 0.807000 O\n0.000000 0.582438 0.901068 O\n0.000000 0.617690 0.559611 O\n0.207121 0.624389 0.024669 O\n0.792879 0.624389 0.024669 O\n0.305462 0.638232 0.488506 O\n0.694538 0.638232 0.488506 O\n0.500000 0.627411 0.928103 O\n0.323265 0.644423 0.159958 O\n0.676735 0.644423 0.159958 O\n0.207611 0.679318 0.347412 O\n0.792389 0.679318 0.347412 O\n0.500000 0.719623 0.269714 O\n0.000000 0.748933 0.215705 O\n0.500000 0.751067 0.715705 O\n0.000000 0.780377 0.769714 O\n0.292389 0.820682 0.847412 O\n0.707611 0.820682 0.847412 O\n0.176735 0.855577 0.659958 O\n0.823265 0.855577 0.659958 O\n0.000000 0.872589 0.428103 O\n0.194538 0.861768 0.988506 O\n0.805462 0.861768 0.988506 O\n0.292879 0.875611 0.524669 O\n0.707121 0.875611 0.524669 O\n0.500000 0.882310 0.059611 O\n0.500000 0.917562 0.401068 O\n0.213273 0.920448 0.307000 O\n0.786727 0.920448 0.307000 O\n0.325349 0.946663 0.172742 O\n0.674651 0.946663 0.172742 O\n0.000000 0.977137 0.108183 O\n",
            "nsites": 184,
            "nelements": 4,
            "elements": [
                "Ni",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-Ni-O-P",
            "density": 2.1294912996889988,
            "density_atomic": 0.12001862239298407,
            "volume": 1533.0954174554506,
            "volume_molar": 5.0176719578411335,
            "formula_full": "Ni8 P8 H96 O72",
            "formula_reduced": "NiP(H4O3)3",
            "formula_anonymous": "ABC9D12",
            "energy": -1023.51320381,
            "energy_per_atom": -5.562571759836957,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -953.72120381,
            "band_gap": 4.135400000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.8955219,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:38.940000Z",
            "spacegroup": 58
        },
        {
            "id": "mp-728306",
            "created_at": "2022-09-04T14:46:24.445123Z",
            "structure_string": "Na8 Co8 P24 H64 O80\n1.0\n9.174876 0.000000 0.000000\n0.000000 14.919746 0.000000\n0.000000 0.000000 14.956054\nNa Co P H O\n8 8 24 64 80\ndirect\n0.062369 0.658010 0.068366 Na\n0.562369 0.841990 0.931634 Na\n0.937631 0.158010 0.431634 Na\n0.437631 0.341990 0.568366 Na\n0.937631 0.341990 0.931634 Na\n0.437631 0.158010 0.068366 Na\n0.062369 0.841990 0.568366 Na\n0.562369 0.658010 0.431634 Na\n0.948258 0.840822 0.953557 Co\n0.448258 0.659178 0.046443 Co\n0.051742 0.340822 0.546443 Co\n0.551742 0.159178 0.453557 Co\n0.051742 0.159178 0.046443 Co\n0.551742 0.340822 0.953557 Co\n0.948258 0.659178 0.453557 Co\n0.448258 0.840822 0.546443 Co\n0.726165 0.531142 0.990671 P\n0.226165 0.968858 0.009329 P\n0.273835 0.031142 0.509329 P\n0.773835 0.468858 0.490671 P\n0.273835 0.468858 0.009329 P\n0.773835 0.031142 0.990671 P\n0.726165 0.968858 0.490671 P\n0.226165 0.531142 0.509329 P\n0.235910 0.722487 0.881877 P\n0.735910 0.777513 0.118123 P\n0.764090 0.222487 0.618123 P\n0.264090 0.277514 0.381877 P\n0.764090 0.277514 0.118123 P\n0.264090 0.222487 0.881877 P\n0.235910 0.777513 0.381877 P\n0.735910 0.722487 0.618123 P\n0.965132 0.528896 0.262428 P\n0.465132 0.971104 0.737572 P\n0.034868 0.028896 0.237572 P\n0.534868 0.471104 0.762428 P\n0.034868 0.471104 0.737572 P\n0.534868 0.028896 0.262428 P\n0.965132 0.971104 0.762428 P\n0.465132 0.528896 0.237572 P\n0.752691 0.544696 0.082181 H\n0.252691 0.955304 0.917819 H\n0.247309 0.044696 0.417819 H\n0.747309 0.455304 0.582181 H\n0.247309 0.455304 0.917819 H\n0.747309 0.044696 0.082181 H\n0.752691 0.955304 0.582181 H\n0.252691 0.544696 0.417819 H\n0.226886 0.637669 0.841075 H\n0.726886 0.862331 0.158925 H\n0.773114 0.137669 0.658925 H\n0.273114 0.362331 0.341075 H\n0.773114 0.362331 0.158925 H\n0.273114 0.137669 0.841075 H\n0.226886 0.862331 0.341075 H\n0.726886 0.637669 0.658925 H\n0.811200 0.529767 0.265060 H\n0.311200 0.970233 0.734940 H\n0.188800 0.029767 0.234940 H\n0.688800 0.470233 0.765060 H\n0.188800 0.470233 0.734940 H\n0.688800 0.029767 0.265060 H\n0.811200 0.970233 0.765060 H\n0.311200 0.529767 0.234940 H\n0.915286 0.534025 0.896880 H\n0.415286 0.965975 0.103120 H\n0.084714 0.034025 0.603120 H\n0.584714 0.465975 0.396880 H\n0.084714 0.465975 0.103120 H\n0.584714 0.034025 0.896880 H\n0.915286 0.965975 0.396880 H\n0.415286 0.534025 0.603120 H\n0.147862 0.833595 0.802605 H\n0.647862 0.666405 0.197395 H\n0.852138 0.333595 0.697395 H\n0.352138 0.166405 0.302605 H\n0.852138 0.166405 0.197395 H\n0.352138 0.333595 0.802605 H\n0.147862 0.666405 0.302605 H\n0.647862 0.833595 0.697395 H\n0.974846 0.420120 0.360817 H\n0.474846 0.079880 0.639183 H\n0.025154 0.920120 0.139183 H\n0.525154 0.579880 0.860817 H\n0.025154 0.579880 0.639183 H\n0.525154 0.920120 0.360817 H\n0.974846 0.079880 0.860817 H\n0.474846 0.420120 0.139183 H\n0.297742 0.735320 0.184748 H\n0.797742 0.764680 0.815252 H\n0.702258 0.235320 0.315252 H\n0.202258 0.264680 0.684748 H\n0.702258 0.264680 0.815252 H\n0.202258 0.235320 0.184748 H\n0.297742 0.764680 0.684748 H\n0.797742 0.735320 0.315252 H\n0.303388 0.801921 0.101744 H\n0.803388 0.698079 0.898256 H\n0.696612 0.301921 0.398256 H\n0.196612 0.198079 0.601744 H\n0.696612 0.198079 0.898256 H\n0.196612 0.301921 0.101744 H\n0.303388 0.698079 0.601744 H\n0.803388 0.801921 0.398256 H\n0.865873 0.575027 0.943909 O\n0.365873 0.924973 0.056091 O\n0.134127 0.075027 0.556091 O\n0.634127 0.424973 0.443909 O\n0.134127 0.424973 0.056091 O\n0.634127 0.075027 0.943909 O\n0.865873 0.924973 0.443909 O\n0.365873 0.575027 0.556091 O\n0.590950 0.585111 0.964880 O\n0.090950 0.914889 0.035120 O\n0.409050 0.085111 0.535120 O\n0.909050 0.414889 0.464880 O\n0.409050 0.414889 0.035120 O\n0.909050 0.085111 0.964880 O\n0.590950 0.914889 0.464880 O\n0.090950 0.585111 0.535120 O\n0.722492 0.431245 0.969849 O\n0.222492 0.068755 0.030151 O\n0.277508 0.931245 0.530151 O\n0.777508 0.568755 0.469849 O\n0.277508 0.568755 0.030151 O\n0.777508 0.931245 0.969849 O\n0.722492 0.068755 0.469849 O\n0.222492 0.431245 0.530151 O\n0.236346 0.791133 0.799320 O\n0.736346 0.708867 0.200680 O\n0.763654 0.291133 0.700680 O\n0.263654 0.208867 0.299320 O\n0.763654 0.208867 0.200680 O\n0.263654 0.291133 0.799320 O\n0.236346 0.708867 0.299320 O\n0.736346 0.791133 0.700680 O\n0.098967 0.738256 0.937025 O\n0.598967 0.761744 0.062975 O\n0.901033 0.238256 0.562975 O\n0.401033 0.261744 0.437025 O\n0.901033 0.261744 0.062975 O\n0.401033 0.238256 0.937025 O\n0.098967 0.761744 0.437025 O\n0.598967 0.738256 0.562975 O\n0.381240 0.729616 0.929936 O\n0.881240 0.770384 0.070064 O\n0.618760 0.229616 0.570064 O\n0.118760 0.270384 0.429936 O\n0.618760 0.270384 0.070064 O\n0.118760 0.229616 0.929936 O\n0.381240 0.770384 0.429936 O\n0.881240 0.729616 0.570064 O\n0.009695 0.432195 0.297885 O\n0.509695 0.067805 0.702115 O\n0.990305 0.932195 0.202115 O\n0.490305 0.567805 0.797885 O\n0.990305 0.567805 0.702115 O\n0.490305 0.932195 0.297885 O\n0.009695 0.067805 0.797885 O\n0.509695 0.432195 0.202115 O\n0.018885 0.536826 0.166990 O\n0.518885 0.963174 0.833010 O\n0.981115 0.036826 0.333010 O\n0.481115 0.463174 0.666990 O\n0.981115 0.463174 0.833010 O\n0.481115 0.036826 0.166990 O\n0.018885 0.963174 0.666990 O\n0.518885 0.536826 0.333010 O\n0.017987 0.603447 0.325497 O\n0.517987 0.896553 0.674503 O\n0.982013 0.103447 0.174503 O\n0.482013 0.396553 0.825497 O\n0.982013 0.396553 0.674503 O\n0.482013 0.103447 0.325497 O\n0.017987 0.896553 0.825497 O\n0.517987 0.603447 0.174503 O\n0.290295 0.738730 0.118965 O\n0.790295 0.761270 0.881035 O\n0.709705 0.238731 0.381035 O\n0.209705 0.261269 0.618965 O\n0.709705 0.261269 0.881035 O\n0.209705 0.238731 0.118965 O\n0.290295 0.761270 0.618965 O\n0.790295 0.738730 0.381035 O\n",
            "nsites": 184,
            "nelements": 5,
            "elements": [
                "Na",
                "Co",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Co-H-Na-O-P",
            "density": 2.2250007113148054,
            "density_atomic": 0.08987505423828016,
            "volume": 2047.286664352627,
            "volume_molar": 6.700569820001301,
            "formula_full": "Na8 Co8 P24 H64 O80",
            "formula_reduced": "NaCoP3(H4O5)2",
            "formula_anonymous": "ABC3D8E10",
            "energy": -1123.0452291200002,
            "energy_per_atom": -6.103506680000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1054.98122912,
            "band_gap": 1.1794999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 23.9989315,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:32.483000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1195410",
            "created_at": "2022-09-04T14:41:03.696653Z",
            "structure_string": "U8 H72 C16 Se12 N8 O68\n1.0\n11.409376 0.000000 0.000000\n0.000000 11.451869 0.000000\n0.000000 0.000000 17.286588\nU H C Se N O\n8 72 16 12 8 68\ndirect\n0.678335 0.663271 0.458271 U\n0.821665 0.336729 0.958271 U\n0.178335 0.836729 0.541729 U\n0.321665 0.163271 0.041729 U\n0.606602 0.127497 0.509703 U\n0.893398 0.872503 0.009703 U\n0.106602 0.372503 0.490297 U\n0.393398 0.627497 0.990297 U\n0.421782 0.315172 0.454177 H\n0.078218 0.684828 0.954177 H\n0.921782 0.184828 0.545823 H\n0.578218 0.815172 0.045823 H\n0.547215 0.367464 0.440192 H\n0.952785 0.632536 0.940192 H\n0.047215 0.132536 0.559808 H\n0.452785 0.867464 0.059808 H\n0.699837 0.341997 0.154544 H\n0.800163 0.658003 0.654544 H\n0.199837 0.158003 0.845456 H\n0.300163 0.841997 0.345456 H\n0.749094 0.367033 0.244304 H\n0.750906 0.632967 0.744304 H\n0.249094 0.132967 0.755696 H\n0.250906 0.867033 0.255696 H\n0.595051 0.262912 0.281530 H\n0.904949 0.737088 0.781530 H\n0.095051 0.237088 0.718470 H\n0.404949 0.762912 0.218470 H\n0.517297 0.292401 0.193961 H\n0.982703 0.707599 0.693961 H\n0.017297 0.207599 0.806039 H\n0.482703 0.792401 0.306039 H\n0.521307 0.399537 0.269693 H\n0.978693 0.600463 0.769693 H\n0.021307 0.100463 0.730307 H\n0.478693 0.899537 0.230307 H\n0.648749 0.552964 0.248520 H\n0.851251 0.447036 0.748520 H\n0.148749 0.947036 0.751480 H\n0.351251 0.052964 0.251480 H\n0.603592 0.528838 0.149993 H\n0.896408 0.471162 0.649993 H\n0.103592 0.971162 0.850007 H\n0.396408 0.028838 0.350007 H\n0.755992 0.543430 0.172943 H\n0.744008 0.456570 0.672943 H\n0.255992 0.956570 0.827057 H\n0.244008 0.043430 0.327057 H\n0.455953 0.556695 0.786316 H\n0.044047 0.443305 0.286316 H\n0.955953 0.943305 0.213684 H\n0.544047 0.056695 0.713684 H\n0.462065 0.640481 0.707177 H\n0.037935 0.359519 0.207177 H\n0.962065 0.859519 0.292823 H\n0.537935 0.140481 0.792823 H\n0.256204 0.504097 0.763719 H\n0.243796 0.495903 0.263719 H\n0.756204 0.995903 0.236281 H\n0.743796 0.004097 0.736281 H\n0.260106 0.588645 0.675757 H\n0.239894 0.411355 0.175757 H\n0.760106 0.911355 0.324243 H\n0.739894 0.088645 0.824243 H\n0.275501 0.659519 0.767972 H\n0.224499 0.340481 0.267972 H\n0.775501 0.840481 0.232028 H\n0.724499 0.159519 0.732028 H\n0.482629 0.388646 0.722614 H\n0.017371 0.611354 0.222614 H\n0.982629 0.111354 0.277386 H\n0.517371 0.888646 0.777386 H\n0.536633 0.485140 0.648177 H\n0.963367 0.514860 0.148177 H\n0.036633 0.014860 0.351823 H\n0.463367 0.985140 0.851823 H\n0.388744 0.434556 0.646183 H\n0.111256 0.565444 0.146183 H\n0.888744 0.065444 0.353817 H\n0.611256 0.934556 0.853817 H\n0.570351 0.330722 0.239992 C\n0.929649 0.669278 0.739992 C\n0.070351 0.169278 0.760008 C\n0.429649 0.830722 0.260008 C\n0.671177 0.511269 0.193405 C\n0.828823 0.488731 0.693405 C\n0.171177 0.988731 0.806595 C\n0.328823 0.011269 0.306595 C\n0.294172 0.580308 0.734712 C\n0.205828 0.419692 0.234712 C\n0.794172 0.919692 0.265288 C\n0.705828 0.080308 0.765288 C\n0.461171 0.461017 0.683794 C\n0.038829 0.538983 0.183794 C\n0.961171 0.038983 0.316206 C\n0.538829 0.961017 0.816206 C\n0.505524 0.846442 0.597633 Se\n0.994476 0.153558 0.097633 Se\n0.005524 0.653558 0.402367 Se\n0.494476 0.346442 0.902367 Se\n0.854110 0.915443 0.542757 Se\n0.645890 0.084557 0.042757 Se\n0.354110 0.584557 0.457243 Se\n0.145890 0.415443 0.957243 Se\n0.797699 0.360061 0.409958 Se\n0.702301 0.639939 0.909958 Se\n0.297699 0.139939 0.590042 Se\n0.202301 0.860061 0.090042 Se\n0.679396 0.382827 0.206379 N\n0.820604 0.617173 0.706379 N\n0.179396 0.117173 0.793621 N\n0.320604 0.882827 0.293621 N\n0.423892 0.565126 0.730534 N\n0.076108 0.434874 0.230534 N\n0.923892 0.934874 0.269466 N\n0.576108 0.065126 0.769466 N\n0.728536 0.621031 0.553612 O\n0.771464 0.378969 0.053612 O\n0.228536 0.878969 0.446388 O\n0.271464 0.121031 0.946388 O\n0.629013 0.705619 0.363110 O\n0.870987 0.294381 0.863110 O\n0.129013 0.794381 0.636890 O\n0.370987 0.205619 0.136890 O\n0.541025 0.795615 0.509545 O\n0.958975 0.204385 0.009545 O\n0.041025 0.704385 0.490455 O\n0.458975 0.295615 0.990455 O\n0.544607 0.758760 0.668745 O\n0.955393 0.241240 0.168745 O\n0.044607 0.741240 0.331255 O\n0.455393 0.258760 0.831255 O\n0.361127 0.872086 0.602327 O\n0.138873 0.127914 0.102327 O\n0.861127 0.627914 0.397673 O\n0.638873 0.372086 0.897673 O\n0.571593 0.977966 0.607359 O\n0.928407 0.022034 0.107359 O\n0.071593 0.522034 0.392641 O\n0.428407 0.477966 0.892641 O\n0.835713 0.854687 0.627617 O\n0.664287 0.145313 0.127617 O\n0.335713 0.645313 0.372383 O\n0.164287 0.354687 0.872383 O\n0.792078 0.838925 0.469802 O\n0.707922 0.161075 0.969802 O\n0.292078 0.661075 0.530198 O\n0.207922 0.338925 0.030198 O\n0.995847 0.940497 0.520334 O\n0.504153 0.059503 0.020334 O\n0.495847 0.559503 0.479666 O\n0.004153 0.440497 0.979666 O\n0.794846 0.051671 0.539691 O\n0.705154 0.948329 0.039691 O\n0.294846 0.448329 0.460309 O\n0.205154 0.551671 0.960309 O\n0.625173 0.226386 0.590265 O\n0.874827 0.773614 0.090265 O\n0.125173 0.273614 0.409735 O\n0.374827 0.726386 0.909735 O\n0.586069 0.029999 0.429029 O\n0.913931 0.970001 0.929029 O\n0.086069 0.470001 0.570971 O\n0.413931 0.529999 0.070971 O\n0.502426 0.293467 0.441332 O\n0.997574 0.706533 0.941332 O\n0.002426 0.206533 0.558668 O\n0.497574 0.793467 0.058668 O\n0.739236 0.227988 0.428439 O\n0.760764 0.772012 0.928439 O\n0.239236 0.272012 0.571561 O\n0.260764 0.727988 0.071561 O\n0.899317 0.386112 0.478047 O\n0.600683 0.613888 0.978047 O\n0.399317 0.113888 0.521953 O\n0.100683 0.886112 0.021953 O\n0.686469 0.455904 0.419897 O\n0.813531 0.544096 0.919897 O\n0.186469 0.044096 0.580103 O\n0.313531 0.955904 0.080103 O\n0.851896 0.360719 0.321432 O\n0.648104 0.639281 0.821432 O\n0.351896 0.139281 0.678568 O\n0.148104 0.860719 0.178568 O\n",
            "nsites": 184,
            "nelements": 6,
            "elements": [
                "U",
                "H",
                "C",
                "Se",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-Se-U",
            "density": 3.1734670800177556,
            "density_atomic": 0.08146485288151457,
            "volume": 2258.6427580936806,
            "volume_molar": 7.392317725975421,
            "formula_full": "U8 H72 C16 Se12 N8 O68",
            "formula_reduced": "U2H18C4Se3N2O17",
            "formula_anonymous": "A2B2C3D4E17F18",
            "energy": -1148.54302705,
            "energy_per_atom": -6.242081668750001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1098.93902705,
            "band_gap": 2.307,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.2536608,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:10.655000Z",
            "spacegroup": 19
        },
        {
            "id": "mp-650280",
            "created_at": "2022-09-04T14:41:01.318840Z",
            "structure_string": "Cs16 As64 S104\n1.0\n12.210503 0.000000 0.000000\n0.000000 18.931737 0.000000\n0.000000 0.000000 23.775449\nCs As S\n16 64 104\ndirect\n0.951745 0.803474 0.632859 Cs\n0.451745 0.303474 0.867141 Cs\n0.045488 0.702891 0.378601 Cs\n0.045488 0.297109 0.121399 Cs\n0.954512 0.297109 0.621399 Cs\n0.454512 0.202891 0.621399 Cs\n0.454512 0.797109 0.878601 Cs\n0.451745 0.696526 0.632859 Cs\n0.545488 0.202891 0.121399 Cs\n0.548255 0.696526 0.132859 Cs\n0.048255 0.803474 0.132859 Cs\n0.548255 0.303474 0.367141 Cs\n0.951745 0.196526 0.867141 Cs\n0.954512 0.702891 0.878601 Cs\n0.545488 0.797109 0.378601 Cs\n0.048255 0.196526 0.367141 Cs\n0.649489 0.917086 0.560159 As\n0.344825 0.579238 0.966783 As\n0.623006 0.970865 0.062079 As\n0.916013 0.070528 0.191034 As\n0.344825 0.420762 0.533217 As\n0.198356 0.438490 0.302064 As\n0.583987 0.429472 0.691034 As\n0.850511 0.417086 0.439841 As\n0.416013 0.429472 0.191034 As\n0.876994 0.529135 0.562079 As\n0.844825 0.920762 0.966783 As\n0.278376 0.416308 0.674347 As\n0.583987 0.570528 0.808966 As\n0.405217 0.088709 0.290472 As\n0.126440 0.909343 0.962410 As\n0.301644 0.938490 0.697936 As\n0.301644 0.061510 0.802064 As\n0.405217 0.911291 0.209528 As\n0.155175 0.079238 0.033217 As\n0.801644 0.561510 0.697936 As\n0.594783 0.088709 0.790472 As\n0.778376 0.916308 0.825653 As\n0.221624 0.916308 0.325653 As\n0.655175 0.420762 0.033217 As\n0.876994 0.470865 0.937921 As\n0.698356 0.061510 0.302064 As\n0.123006 0.529135 0.062079 As\n0.905217 0.588709 0.209528 As\n0.623006 0.029135 0.437921 As\n0.721624 0.416308 0.174347 As\n0.376994 0.970865 0.562079 As\n0.155175 0.920762 0.466783 As\n0.916013 0.929472 0.308966 As\n0.373560 0.409343 0.037590 As\n0.721624 0.583692 0.325653 As\n0.594783 0.911291 0.709528 As\n0.278376 0.583692 0.825653 As\n0.123006 0.470865 0.437921 As\n0.126440 0.090657 0.537590 As\n0.655175 0.579238 0.466783 As\n0.626440 0.409343 0.537590 As\n0.873560 0.909343 0.462410 As\n0.373560 0.590657 0.462410 As\n0.094783 0.588709 0.709528 As\n0.198356 0.561510 0.197936 As\n0.873560 0.090657 0.037590 As\n0.844825 0.079238 0.533217 As\n0.094783 0.411291 0.790472 As\n0.801644 0.438490 0.802064 As\n0.850511 0.582914 0.060158 As\n0.083987 0.929472 0.808966 As\n0.698356 0.938490 0.197936 As\n0.778376 0.083692 0.674347 As\n0.350511 0.082914 0.439841 As\n0.149489 0.582914 0.560159 As\n0.149489 0.417086 0.939841 As\n0.416013 0.570528 0.308966 As\n0.626440 0.590657 0.962410 As\n0.905217 0.411291 0.290472 As\n0.649489 0.082914 0.939841 As\n0.350511 0.917086 0.060158 As\n0.221624 0.083692 0.174347 As\n0.376994 0.029135 0.937921 As\n0.083987 0.070528 0.691034 As\n0.482706 0.006123 0.632040 S\n0.929931 0.993454 0.909338 S\n0.252220 0.150542 0.096666 S\n0.168882 0.859675 0.875713 S\n0.983820 0.160997 0.510979 S\n0.746971 0.165507 0.993268 S\n0.983820 0.839003 0.989021 S\n0.825438 0.665177 0.275579 S\n0.747151 0.101208 0.388961 S\n0.482706 0.993877 0.867960 S\n0.487068 0.116282 0.979418 S\n0.069145 0.133989 0.216249 S\n0.982706 0.506123 0.867960 S\n0.017294 0.493877 0.132040 S\n0.987068 0.616282 0.520582 S\n0.930855 0.866011 0.783751 S\n0.016180 0.839003 0.489021 S\n0.016180 0.160997 0.010979 S\n0.247151 0.398792 0.388961 S\n0.929931 0.006546 0.590662 S\n0.663390 0.157578 0.862735 S\n0.569874 0.141838 0.270548 S\n0.252849 0.101208 0.888961 S\n0.017294 0.506123 0.367960 S\n0.570069 0.493454 0.090662 S\n0.246971 0.665507 0.506732 S\n0.253029 0.834493 0.006732 S\n0.987068 0.383718 0.979418 S\n0.246971 0.334493 0.993268 S\n0.825438 0.334823 0.224421 S\n0.429931 0.506546 0.909338 S\n0.166579 0.134857 0.762799 S\n0.487068 0.883718 0.520582 S\n0.331118 0.359675 0.124287 S\n0.930855 0.133989 0.716249 S\n0.752220 0.650542 0.403334 S\n0.752849 0.601208 0.611039 S\n0.070069 0.993454 0.409338 S\n0.333421 0.634857 0.237201 S\n0.430126 0.858162 0.729452 S\n0.069145 0.866011 0.283751 S\n0.668882 0.359675 0.624287 S\n0.753029 0.665507 0.006732 S\n0.069874 0.641838 0.229452 S\n0.836610 0.342422 0.362735 S\n0.168882 0.140325 0.624287 S\n0.174562 0.665177 0.775579 S\n0.663390 0.842422 0.637265 S\n0.836610 0.657578 0.137265 S\n0.666579 0.634857 0.737201 S\n0.569145 0.633989 0.283751 S\n0.747151 0.898792 0.111039 S\n0.331118 0.640325 0.375713 S\n0.430855 0.633989 0.783751 S\n0.516180 0.660997 0.489021 S\n0.516180 0.339003 0.010979 S\n0.483820 0.339003 0.510979 S\n0.752220 0.349458 0.096666 S\n0.833421 0.134857 0.262799 S\n0.674562 0.165177 0.724421 S\n0.569145 0.366011 0.216249 S\n0.747780 0.849458 0.903334 S\n0.336610 0.157578 0.362735 S\n0.833421 0.865143 0.237201 S\n0.666579 0.365143 0.762799 S\n0.746971 0.834493 0.506732 S\n0.166579 0.865143 0.737201 S\n0.674562 0.834823 0.775579 S\n0.517294 0.006123 0.132040 S\n0.070069 0.006546 0.090662 S\n0.752849 0.398792 0.888961 S\n0.252220 0.849458 0.403334 S\n0.930126 0.641838 0.729452 S\n0.570069 0.506546 0.409338 S\n0.174562 0.334823 0.724421 S\n0.668882 0.640325 0.875713 S\n0.325438 0.165177 0.224421 S\n0.012932 0.616282 0.020582 S\n0.430855 0.366011 0.716249 S\n0.069874 0.358162 0.270548 S\n0.831118 0.859675 0.375713 S\n0.517294 0.993877 0.367960 S\n0.247780 0.650542 0.903334 S\n0.252849 0.898792 0.611039 S\n0.247780 0.349458 0.596666 S\n0.429931 0.493454 0.590662 S\n0.012932 0.383718 0.479418 S\n0.333421 0.365143 0.262799 S\n0.163390 0.342422 0.862735 S\n0.430126 0.141838 0.770548 S\n0.512932 0.116282 0.479418 S\n0.831118 0.140325 0.124287 S\n0.325438 0.834823 0.275579 S\n0.253029 0.165507 0.493268 S\n0.747780 0.150542 0.596666 S\n0.483820 0.660997 0.989021 S\n0.569874 0.858162 0.229452 S\n0.247151 0.601208 0.111039 S\n0.930126 0.358162 0.770548 S\n0.163390 0.657578 0.637265 S\n0.753029 0.334493 0.493268 S\n0.336610 0.842422 0.137265 S\n0.512932 0.883718 0.020582 S\n0.982706 0.493877 0.632040 S\n",
            "nsites": 184,
            "nelements": 3,
            "elements": [
                "Cs",
                "As",
                "S"
            ],
            "chemical_system": "As-Cs-S",
            "density": 3.0987325113043176,
            "density_atomic": 0.033478429630427894,
            "volume": 5496.076190884592,
            "volume_molar": 17.988121983256327,
            "formula_full": "Cs16 As64 S104",
            "formula_reduced": "Cs2As8S13",
            "formula_anonymous": "A2B8C13",
            "energy": -857.9793032800001,
            "energy_per_atom": -4.662930996086957,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -805.6673032799999,
            "band_gap": 1.5072,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 5.68e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:21.493000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-1205023",
            "created_at": "2022-09-04T14:47:41.987723Z",
            "structure_string": "Sr32 Mn16 Bi32 O104\n1.0\n0.000000 -5.532395 0.000000\n-22.224361 0.000000 0.000000\n0.000000 0.000000 -23.774908\nSr Mn Bi O\n32 16 32 104\ndirect\n0.754255 0.383276 0.681102 Sr\n0.254255 0.616724 0.318898 Sr\n0.254255 0.116724 0.181102 Sr\n0.754255 0.883276 0.818898 Sr\n0.247640 0.262656 0.667281 Sr\n0.747640 0.737344 0.332719 Sr\n0.747640 0.237344 0.167281 Sr\n0.247640 0.762656 0.832719 Sr\n0.747042 0.130926 0.648966 Sr\n0.247042 0.869074 0.351034 Sr\n0.247042 0.369074 0.148966 Sr\n0.747042 0.630926 0.851034 Sr\n0.244824 0.990156 0.646839 Sr\n0.744824 0.009844 0.353161 Sr\n0.744824 0.509844 0.146839 Sr\n0.244824 0.490156 0.853161 Sr\n0.749404 0.861505 0.666621 Sr\n0.249404 0.138495 0.333379 Sr\n0.249404 0.638495 0.166621 Sr\n0.749404 0.361505 0.833379 Sr\n0.253416 0.739042 0.680704 Sr\n0.753416 0.260958 0.319296 Sr\n0.753416 0.760958 0.180704 Sr\n0.253416 0.239042 0.819296 Sr\n0.751603 0.619296 0.691470 Sr\n0.251603 0.380704 0.308530 Sr\n0.251603 0.880704 0.191470 Sr\n0.751603 0.119296 0.808530 Sr\n0.251882 0.502139 0.691989 Sr\n0.751882 0.497861 0.308011 Sr\n0.751882 0.997861 0.191989 Sr\n0.251882 0.002139 0.808011 Sr\n0.251269 0.373513 0.761822 Mn\n0.751269 0.626487 0.238178 Mn\n0.751269 0.126487 0.261822 Mn\n0.251269 0.873513 0.738178 Mn\n0.749621 0.248973 0.741579 Mn\n0.249621 0.751027 0.258421 Mn\n0.249621 0.251027 0.241579 Mn\n0.749621 0.748973 0.758421 Mn\n0.248517 0.124834 0.724778 Mn\n0.748517 0.875166 0.275222 Mn\n0.748517 0.375166 0.224778 Mn\n0.248517 0.624834 0.775222 Mn\n0.748208 0.997178 0.723387 Mn\n0.248208 0.002822 0.276613 Mn\n0.248208 0.502822 0.223387 Mn\n0.748208 0.497178 0.776613 Mn\n0.276551 0.391527 0.566280 Bi\n0.776551 0.608473 0.433720 Bi\n0.776551 0.108473 0.066280 Bi\n0.276551 0.891527 0.933720 Bi\n0.728384 0.272325 0.557473 Bi\n0.228384 0.727675 0.442527 Bi\n0.228384 0.227675 0.057473 Bi\n0.728384 0.772325 0.942527 Bi\n0.259893 0.128705 0.553898 Bi\n0.759893 0.871295 0.446102 Bi\n0.759893 0.371295 0.053898 Bi\n0.259893 0.628705 0.946102 Bi\n0.753840 0.997795 0.551523 Bi\n0.253840 0.002204 0.448477 Bi\n0.253840 0.502205 0.051523 Bi\n0.753840 0.497796 0.948477 Bi\n0.231461 0.850614 0.556260 Bi\n0.731461 0.149386 0.443740 Bi\n0.731461 0.649386 0.056260 Bi\n0.231461 0.350614 0.943740 Bi\n0.774528 0.731125 0.567819 Bi\n0.274528 0.268875 0.432181 Bi\n0.274528 0.768875 0.067819 Bi\n0.774528 0.231125 0.932181 Bi\n0.231359 0.616621 0.574382 Bi\n0.731359 0.383379 0.425618 Bi\n0.731359 0.883379 0.074382 Bi\n0.231359 0.116621 0.925618 Bi\n0.730228 0.503859 0.573677 Bi\n0.230228 0.496141 0.426323 Bi\n0.230228 0.996141 0.073677 Bi\n0.730228 0.003859 0.926323 Bi\n0.661134 0.400631 0.572246 O\n0.161134 0.599369 0.427754 O\n0.161134 0.099369 0.072246 O\n0.661134 0.900631 0.927754 O\n0.344449 0.292898 0.560152 O\n0.844449 0.707102 0.439848 O\n0.844449 0.207102 0.060152 O\n0.344449 0.792898 0.939848 O\n0.660553 0.179145 0.548660 O\n0.160553 0.820855 0.451340 O\n0.160553 0.320855 0.048660 O\n0.660553 0.679145 0.951340 O\n0.989575 0.062828 0.582944 O\n0.489575 0.937172 0.417056 O\n0.489575 0.437172 0.082944 O\n0.989575 0.562828 0.917056 O\n0.487263 0.060594 0.584831 O\n0.987263 0.939406 0.415169 O\n0.987263 0.439406 0.084831 O\n0.487263 0.560594 0.915169 O\n0.163939 0.942926 0.546061 O\n0.663939 0.057074 0.453939 O\n0.663939 0.557074 0.046061 O\n0.163939 0.442926 0.953939 O\n0.849629 0.828183 0.566073 O\n0.349629 0.171817 0.433927 O\n0.349629 0.671817 0.066073 O\n0.849629 0.328183 0.933927 O\n0.159445 0.719476 0.572915 O\n0.659445 0.280524 0.427085 O\n0.659445 0.780524 0.072915 O\n0.159445 0.219476 0.927085 O\n0.842718 0.610206 0.579221 O\n0.342718 0.389794 0.420779 O\n0.342718 0.889794 0.079221 O\n0.842718 0.110206 0.920779 O\n0.340789 0.509623 0.579270 O\n0.840789 0.490377 0.420730 O\n0.840789 0.990377 0.079270 O\n0.340789 0.009623 0.920730 O\n0.227296 0.385249 0.653952 O\n0.727296 0.614751 0.346048 O\n0.727296 0.114751 0.153952 O\n0.227296 0.885249 0.846048 O\n0.763520 0.266730 0.646760 O\n0.263520 0.733270 0.353240 O\n0.263520 0.233270 0.146760 O\n0.763520 0.766730 0.853240 O\n0.231991 0.156702 0.638634 O\n0.731991 0.843298 0.361366 O\n0.731991 0.343298 0.138634 O\n0.231991 0.656702 0.861366 O\n0.733013 0.967991 0.638221 O\n0.233013 0.032009 0.361779 O\n0.233013 0.532009 0.138221 O\n0.733013 0.467991 0.861779 O\n0.264410 0.857703 0.649423 O\n0.764410 0.142297 0.350577 O\n0.764410 0.642297 0.149423 O\n0.264410 0.357703 0.850577 O\n0.727502 0.734454 0.656571 O\n0.227502 0.265546 0.343429 O\n0.227502 0.765546 0.156571 O\n0.727502 0.234454 0.843429 O\n0.271109 0.618159 0.662722 O\n0.771109 0.381841 0.337278 O\n0.771109 0.881841 0.162722 O\n0.271109 0.118159 0.837278 O\n0.771617 0.502460 0.661674 O\n0.271617 0.497540 0.338326 O\n0.271617 0.997540 0.161674 O\n0.771617 0.002460 0.838326 O\n0.008656 0.437794 0.762562 O\n0.508656 0.562206 0.237438 O\n0.508656 0.062206 0.262562 O\n0.008656 0.937794 0.737438 O\n0.507379 0.433809 0.758383 O\n0.007379 0.566191 0.241617 O\n0.007379 0.066191 0.258383 O\n0.507379 0.933809 0.741617 O\n0.993083 0.313075 0.751180 O\n0.493083 0.686925 0.248820 O\n0.493083 0.186925 0.251180 O\n0.993083 0.813075 0.748820 O\n0.492592 0.309644 0.748419 O\n0.992592 0.690356 0.251581 O\n0.992592 0.190356 0.248419 O\n0.492592 0.809644 0.751581 O\n0.007500 0.188627 0.741359 O\n0.507500 0.811373 0.258641 O\n0.507500 0.311373 0.241359 O\n0.007500 0.688627 0.758641 O\n0.508386 0.184581 0.737483 O\n0.008386 0.815419 0.262517 O\n0.008386 0.315419 0.237483 O\n0.508386 0.684581 0.762517 O\n0.988832 0.063525 0.726089 O\n0.488832 0.936475 0.273911 O\n0.488832 0.436475 0.226089 O\n0.988832 0.563525 0.773911 O\n0.489693 0.058764 0.726037 O\n0.989693 0.941236 0.273963 O\n0.989693 0.441236 0.226037 O\n0.489693 0.558764 0.773963 O\n",
            "nsites": 184,
            "nelements": 4,
            "elements": [
                "Sr",
                "Mn",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mn-O-Sr",
            "density": 6.836023373341331,
            "density_atomic": 0.06294431547547476,
            "volume": 2923.218699100678,
            "volume_molar": 9.567410042526287,
            "formula_full": "Sr32 Mn16 Bi32 O104",
            "formula_reduced": "Sr4Mn2Bi4O13",
            "formula_anonymous": "A2B4C4D13",
            "energy": -1261.51405968,
            "energy_per_atom": -6.856054672173912,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1163.37805968,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 64.0000893,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:21.379000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-29292",
            "created_at": "2022-09-04T14:47:45.581003Z",
            "structure_string": "B80 H104\n1.0\n-6.064986 6.064986 11.886938\n6.064986 -6.064986 11.886938\n6.064986 6.064986 -11.886938\nB H\n80 104\ndirect\n0.576163 0.935240 0.867953 B\n0.067287 0.708209 0.132047 B\n0.458209 0.826163 0.140922 B\n0.685240 0.317287 0.859078 B\n0.958209 0.817287 0.632047 B\n0.567287 0.435240 0.359078 B\n0.076163 0.208209 0.640922 B\n0.185240 0.326163 0.367953 B\n0.632877 0.869056 0.959559 B\n0.909497 0.673317 0.040441 B\n0.423317 0.882876 0.263820 B\n0.619056 0.159497 0.736180 B\n0.923317 0.659497 0.540441 B\n0.409497 0.369056 0.236180 B\n0.132877 0.173317 0.763820 B\n0.119056 0.382876 0.459559 B\n0.528632 0.724735 0.812837 B\n0.911899 0.715795 0.187163 B\n0.465795 0.778632 0.303896 B\n0.474735 0.161899 0.696104 B\n0.965795 0.661899 0.687163 B\n0.411899 0.224735 0.196104 B\n0.028632 0.215795 0.803896 B\n0.974735 0.278632 0.312837 B\n0.350068 0.726051 0.693798 B\n0.032253 0.656270 0.306202 B\n0.406270 0.600068 0.124017 B\n0.476051 0.282253 0.875983 B\n0.906270 0.782253 0.806202 B\n0.532253 0.226051 0.375983 B\n0.850068 0.156270 0.624017 B\n0.976051 0.100068 0.193798 B\n0.310686 0.872198 0.746032 B\n0.126166 0.564654 0.253968 B\n0.314654 0.560686 0.938488 B\n0.622198 0.376166 0.061512 B\n0.814654 0.876166 0.753968 B\n0.626166 0.372198 0.561512 B\n0.810686 0.064654 0.438488 B\n0.122198 0.060686 0.246032 B\n0.398861 0.936600 0.750302 B\n0.186297 0.648559 0.249698 B\n0.398559 0.648861 0.962262 B\n0.686600 0.436297 0.037738 B\n0.898559 0.936297 0.749698 B\n0.686297 0.436600 0.537738 B\n0.898861 0.148559 0.462262 B\n0.186600 0.148861 0.250302 B\n0.587546 0.776146 0.775239 B\n0.000907 0.812306 0.224761 B\n0.562306 0.837546 0.311399 B\n0.526146 0.250907 0.688601 B\n0.062306 0.750907 0.724761 B\n0.500907 0.276146 0.188601 B\n0.087546 0.312306 0.811399 B\n0.026146 0.337546 0.275239 B\n0.433556 0.690971 0.631875 B\n0.059096 0.801681 0.368125 B\n0.551681 0.683556 0.242584 B\n0.440971 0.309096 0.757416 B\n0.051681 0.809096 0.868125 B\n0.559096 0.190971 0.257416 B\n0.933556 0.301681 0.742584 B\n0.940971 0.183556 0.131875 B\n0.315052 0.777929 0.592806 B\n0.185124 0.722246 0.407194 B\n0.472246 0.565052 0.037122 B\n0.527929 0.435124 0.962878 B\n0.972246 0.935124 0.907194 B\n0.685124 0.277929 0.462878 B\n0.815052 0.222246 0.537122 B\n0.027929 0.065052 0.092806 B\n0.463559 0.822690 0.666044 B\n0.156645 0.797514 0.333956 B\n0.547514 0.713559 0.140869 B\n0.572690 0.406645 0.859131 B\n0.047514 0.906645 0.833956 B\n0.656645 0.322690 0.359131 B\n0.963559 0.297514 0.640869 B\n0.072690 0.213559 0.166044 B\n0.586861 0.971522 0.985291 H\n0.986231 0.601570 0.014709 H\n0.351570 0.836861 0.115339 H\n0.721522 0.236231 0.884661 H\n0.851570 0.736231 0.514709 H\n0.486231 0.471522 0.384661 H\n0.086861 0.101570 0.615339 H\n0.221522 0.336861 0.485291 H\n0.552969 0.826115 0.946315 H\n0.879800 0.606654 0.053685 H\n0.356654 0.802969 0.226854 H\n0.576115 0.129800 0.773146 H\n0.856654 0.629800 0.553685 H\n0.379800 0.326115 0.273146 H\n0.052969 0.106654 0.726854 H\n0.076115 0.302969 0.446315 H\n0.368338 0.827071 0.823275 H\n0.003795 0.545063 0.176725 H\n0.295063 0.618338 0.041267 H\n0.577071 0.253795 0.958733 H\n0.795063 0.753795 0.676725 H\n0.503795 0.327071 0.458733 H\n0.868338 0.045063 0.541267 H\n0.077071 0.118338 0.323275 H\n0.403056 0.972137 0.862772 H\n0.109364 0.540284 0.137228 H\n0.290284 0.653056 0.930920 H\n0.722137 0.359364 0.069080 H\n0.790284 0.859364 0.637228 H\n0.609364 0.472137 0.569080 H\n0.903056 0.040284 0.430920 H\n0.222137 0.153056 0.362772 H\n0.643207 0.016506 0.925391 H\n0.091116 0.717816 0.074609 H\n0.467816 0.893207 0.126701 H\n0.766506 0.341116 0.873299 H\n0.967816 0.841116 0.574609 H\n0.591116 0.516506 0.373299 H\n0.143207 0.217816 0.626701 H\n0.266506 0.393207 0.425391 H\n0.731778 0.901243 0.080255 H\n0.820987 0.651522 0.919745 H\n0.401522 0.981778 0.330535 H\n0.651243 0.070987 0.669465 H\n0.901522 0.570987 0.419745 H\n0.661941 0.733275 0.754903 H\n0.320987 0.401243 0.169465 H\n0.151243 0.481778 0.580255 H\n0.559526 0.647482 0.828515 H\n0.818967 0.731011 0.171485 H\n0.481011 0.809526 0.412044 H\n0.397482 0.068967 0.587956 H\n0.981011 0.568967 0.671485 H\n0.318967 0.147482 0.087956 H\n0.059526 0.231011 0.912044 H\n0.897482 0.309526 0.328515 H\n0.285198 0.649703 0.646425 H\n0.003278 0.638773 0.353575 H\n0.388773 0.535198 0.135495 H\n0.399703 0.253278 0.864505 H\n0.888773 0.753278 0.853575 H\n0.503278 0.149703 0.364505 H\n0.785198 0.138773 0.635495 H\n0.899703 0.035198 0.146425 H\n0.226747 0.908251 0.748490 H\n0.159761 0.478257 0.251510 H\n0.228257 0.476747 0.818495 H\n0.658251 0.409761 0.181505 H\n0.728257 0.909761 0.751510 H\n0.659761 0.408251 0.681505 H\n0.726747 0.978257 0.318495 H\n0.158251 0.976747 0.248490 H\n0.369370 0.019114 0.744136 H\n0.274978 0.625233 0.255864 H\n0.375233 0.619370 0.850256 H\n0.769114 0.524978 0.149744 H\n0.875233 0.024978 0.755864 H\n0.774978 0.519114 0.649744 H\n0.869370 0.125233 0.350256 H\n0.269114 0.119370 0.244136 H\n0.076855 0.217373 0.089814 H\n0.967373 0.377558 0.640517 H\n0.737041 0.326855 0.359483 H\n0.127558 0.987041 0.910186 H\n0.576855 0.487041 0.859483 H\n0.627558 0.717373 0.140517 H\n0.237041 0.877558 0.410186 H\n0.467373 0.826855 0.589814 H\n0.833605 0.161611 0.026141 H\n0.911611 0.385471 0.828007 H\n0.557464 0.083605 0.171993 H\n0.135471 0.807464 0.973859 H\n0.333605 0.307464 0.671993 H\n0.635471 0.661611 0.328007 H\n0.057464 0.885471 0.473859 H\n0.411611 0.583605 0.526141 H\n0.983275 0.411941 0.254903 H\n0.161941 0.407038 0.928666 H\n0.478372 0.233275 0.071334 H\n0.157038 0.728372 0.745097 H\n0.483275 0.228372 0.571334 H\n0.657038 0.911941 0.428666 H\n0.978372 0.907038 0.245097 H\n0.231778 0.151522 0.830535 H\n",
            "nsites": 184,
            "nelements": 2,
            "elements": [
                "B",
                "H"
            ],
            "chemical_system": "B-H",
            "density": 0.9206604319943807,
            "density_atomic": 0.10520302526211021,
            "volume": 1748.999133262275,
            "volume_molar": 5.7243037878388146,
            "formula_full": "B80 H104",
            "formula_reduced": "B10H13",
            "formula_anonymous": "A10B13",
            "energy": -920.80085416,
            "energy_per_atom": -5.004352468260869,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -902.18485416,
            "band_gap": 3.3318000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.11e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:20.797000Z",
            "spacegroup": 110
        },
        {
            "id": "mp-721235",
            "created_at": "2022-09-04T14:46:57.238315Z",
            "structure_string": "V4 H96 C32 S8 N8 O36\n1.0\n9.399295 0.000000 0.000000\n0.000000 13.361984 0.000000\n0.000000 12.064884 14.447273\nV H C S N O\n4 96 32 8 8 36\ndirect\n0.059538 0.293164 0.058681 V\n0.440462 0.293164 0.558681 V\n0.940462 0.706836 0.941319 V\n0.559538 0.706836 0.441319 V\n0.447873 0.966311 0.106855 H\n0.052127 0.966311 0.606855 H\n0.552127 0.033689 0.893145 H\n0.947873 0.033689 0.393145 H\n0.587075 0.865172 0.117073 H\n0.912925 0.865172 0.617073 H\n0.412925 0.134828 0.882927 H\n0.087075 0.134828 0.382927 H\n0.530961 0.844587 0.217013 H\n0.969039 0.844587 0.717013 H\n0.469039 0.155413 0.782987 H\n0.030961 0.155413 0.282987 H\n0.685853 0.156018 0.135507 H\n0.814147 0.156018 0.635507 H\n0.314147 0.843982 0.864493 H\n0.185853 0.843982 0.364493 H\n0.503557 0.127437 0.123443 H\n0.996443 0.127437 0.623443 H\n0.496443 0.872563 0.876557 H\n0.003557 0.872563 0.376557 H\n0.596610 0.010475 0.230467 H\n0.903390 0.010475 0.730467 H\n0.403390 0.989525 0.769533 H\n0.096610 0.989525 0.269533 H\n0.757849 0.183898 0.002920 H\n0.742151 0.183898 0.502920 H\n0.242151 0.816102 0.997080 H\n0.257849 0.816102 0.497080 H\n0.719117 0.061220 0.993076 H\n0.780883 0.061220 0.493076 H\n0.280883 0.938780 0.006924 H\n0.219117 0.938780 0.506924 H\n0.578337 0.159782 0.984463 H\n0.921663 0.159782 0.484463 H\n0.421663 0.840218 0.015537 H\n0.078337 0.840218 0.515537 H\n0.775245 0.871358 0.242198 H\n0.724755 0.871358 0.742198 H\n0.224755 0.128642 0.757802 H\n0.275245 0.128642 0.257802 H\n0.829041 0.894484 0.140950 H\n0.670959 0.894484 0.640950 H\n0.170959 0.105516 0.859050 H\n0.329041 0.105516 0.359050 H\n0.873921 0.014284 0.151919 H\n0.626079 0.014284 0.651919 H\n0.126079 0.985716 0.848081 H\n0.373921 0.985716 0.348081 H\n0.591306 0.631714 0.741698 H\n0.908694 0.631714 0.241698 H\n0.408694 0.368286 0.258302 H\n0.091306 0.368286 0.758302 H\n0.463833 0.605410 0.683607 H\n0.036167 0.605410 0.183607 H\n0.536167 0.394590 0.316393 H\n0.963833 0.394590 0.816393 H\n0.466785 0.757826 0.660688 H\n0.033215 0.757826 0.160688 H\n0.533215 0.242174 0.339312 H\n0.966785 0.242174 0.839312 H\n0.400401 0.761529 0.786550 H\n0.099599 0.761529 0.286550 H\n0.599599 0.238471 0.213450 H\n0.900401 0.238471 0.713450 H\n0.339315 0.614379 0.895604 H\n0.160685 0.614379 0.395604 H\n0.660685 0.385621 0.104396 H\n0.839315 0.385621 0.604396 H\n0.522412 0.629669 0.862687 H\n0.977588 0.629669 0.362687 H\n0.477588 0.370331 0.137313 H\n0.022412 0.370331 0.637313 H\n0.225612 0.746110 0.701121 H\n0.274388 0.746110 0.201121 H\n0.774388 0.253890 0.298879 H\n0.725612 0.253890 0.798879 H\n0.211050 0.600206 0.715118 H\n0.288950 0.600206 0.215118 H\n0.788950 0.399794 0.284882 H\n0.711050 0.399794 0.784882 H\n0.153580 0.600071 0.806370 H\n0.346420 0.600071 0.306370 H\n0.846420 0.399929 0.193630 H\n0.653580 0.399929 0.693630 H\n0.312969 0.417110 0.915491 H\n0.187031 0.417110 0.415491 H\n0.687031 0.582890 0.084509 H\n0.812969 0.582890 0.584509 H\n0.361983 0.415382 0.824103 H\n0.138017 0.415382 0.324103 H\n0.638017 0.584618 0.175897 H\n0.861983 0.584618 0.675897 H\n0.496885 0.426416 0.887138 H\n0.003115 0.426416 0.387138 H\n0.503115 0.573584 0.112862 H\n0.996885 0.573584 0.612862 H\n0.547150 0.914708 0.142004 C\n0.952850 0.914708 0.642004 C\n0.452850 0.085292 0.857996 C\n0.047150 0.085292 0.357996 C\n0.606803 0.081965 0.155024 C\n0.893197 0.081965 0.655024 C\n0.393197 0.918035 0.844976 C\n0.106803 0.918035 0.344976 C\n0.680119 0.111857 0.017423 C\n0.819881 0.111857 0.517423 C\n0.319881 0.888143 0.982577 C\n0.180119 0.888143 0.482577 C\n0.794071 0.943138 0.167494 C\n0.705929 0.943138 0.667494 C\n0.205929 0.056862 0.832506 C\n0.294071 0.056862 0.332506 C\n0.483242 0.652504 0.713436 C\n0.016758 0.652504 0.213436 C\n0.516758 0.347496 0.286564 C\n0.983242 0.347496 0.786564 C\n0.412462 0.655401 0.837514 C\n0.087538 0.655401 0.337514 C\n0.587538 0.344599 0.162486 C\n0.912462 0.344599 0.662486 C\n0.230834 0.639408 0.750558 C\n0.269166 0.639408 0.250558 C\n0.769166 0.360592 0.249442 C\n0.730834 0.360592 0.749442 C\n0.388411 0.453729 0.859322 C\n0.111589 0.453729 0.359322 C\n0.611589 0.546271 0.140678 C\n0.888411 0.546271 0.640678 C\n0.838212 0.514231 0.903077 S\n0.661788 0.514231 0.403077 S\n0.161788 0.485769 0.096923 S\n0.338212 0.485769 0.596923 S\n0.180031 0.116849 0.052945 S\n0.319969 0.116849 0.552945 S\n0.819969 0.883151 0.947055 S\n0.680031 0.883151 0.447055 S\n0.656732 0.013007 0.120388 N\n0.843268 0.013007 0.620388 N\n0.343268 0.986993 0.879612 N\n0.156732 0.986993 0.379612 N\n0.378569 0.600122 0.790546 N\n0.121431 0.600122 0.290546 N\n0.621431 0.399878 0.209454 N\n0.878569 0.399878 0.709454 N\n0.940158 0.227778 0.140053 O\n0.559842 0.227778 0.640053 O\n0.059842 0.772222 0.859947 O\n0.440158 0.772222 0.359947 O\n0.986663 0.456209 0.940109 O\n0.513337 0.456209 0.440109 O\n0.013337 0.543791 0.059891 O\n0.486663 0.543791 0.559891 O\n0.810453 0.601987 0.927489 O\n0.689547 0.601987 0.427489 O\n0.189547 0.398013 0.072511 O\n0.310453 0.398013 0.572511 O\n0.842049 0.593667 0.802639 O\n0.657951 0.593667 0.302639 O\n0.157951 0.406333 0.197361 O\n0.342049 0.406333 0.697361 O\n0.729461 0.412110 0.949252 O\n0.770539 0.412110 0.449252 O\n0.270539 0.587890 0.050748 O\n0.229461 0.587890 0.550748 O\n0.046039 0.201944 0.004035 O\n0.453961 0.201944 0.504035 O\n0.953961 0.798056 0.995965 O\n0.546039 0.798056 0.495965 O\n0.144906 0.978438 0.120099 O\n0.355094 0.978438 0.620099 O\n0.855094 0.021562 0.879901 O\n0.644906 0.021562 0.379901 O\n0.226542 0.170474 0.102082 O\n0.273458 0.170474 0.602082 O\n0.773458 0.829526 0.897918 O\n0.726542 0.829526 0.397918 O\n0.287198 0.147574 0.985498 O\n0.212802 0.147574 0.485498 O\n0.712802 0.852426 0.014502 O\n0.787198 0.852426 0.514502 O\n",
            "nsites": 184,
            "nelements": 6,
            "elements": [
                "V",
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-S-V",
            "density": 1.4911822884040646,
            "density_atomic": 0.1014064818846043,
            "volume": 1814.4796721119185,
            "volume_molar": 5.93861521283512,
            "formula_full": "V4 H96 C32 S8 N8 O36",
            "formula_reduced": "VH24C8S2N2O9",
            "formula_anonymous": "AB2C2D8E9F24",
            "energy": -1063.4667148800002,
            "energy_per_atom": -5.779710406956522,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1029.04671488,
            "band_gap": 3.1064,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9527194,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:47.364000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-705014",
            "created_at": "2022-09-04T14:47:00.405023Z",
            "structure_string": "Ni8 P16 C44 S8 O12 F96\n1.0\n10.591614 0.000000 0.000000\n0.000000 14.414952 0.000000\n0.000000 0.000000 19.008355\nNi P C S O F\n8 16 44 8 12 96\ndirect\n0.008473 0.202284 0.181981 Ni\n0.008473 0.797716 0.681981 Ni\n0.991527 0.202284 0.318019 Ni\n0.491527 0.702284 0.181981 Ni\n0.508473 0.297716 0.818019 Ni\n0.991527 0.797716 0.818019 Ni\n0.491527 0.297716 0.681981 Ni\n0.508473 0.702284 0.318019 Ni\n0.139336 0.902163 0.836602 P\n0.299416 0.351888 0.680192 P\n0.200584 0.851888 0.680192 P\n0.799416 0.148112 0.319808 P\n0.360664 0.402163 0.836602 P\n0.200584 0.148112 0.180192 P\n0.139336 0.097837 0.336602 P\n0.860664 0.902163 0.663398 P\n0.700584 0.351888 0.819808 P\n0.799416 0.851888 0.819808 P\n0.639336 0.402163 0.663398 P\n0.299416 0.648112 0.180192 P\n0.860664 0.097837 0.163398 P\n0.700584 0.648112 0.319808 P\n0.360664 0.597837 0.336602 P\n0.639336 0.597837 0.163398 P\n0.823350 0.746451 0.323881 C\n0.000000 0.699196 0.750000 C\n0.250091 0.369909 0.913206 C\n0.823350 0.253549 0.823881 C\n0.323350 0.246451 0.176119 C\n0.892985 0.973108 0.132808 C\n0.176650 0.253549 0.676119 C\n0.502315 0.222996 0.607037 C\n0.749909 0.630091 0.086794 C\n0.497685 0.222996 0.892963 C\n0.234993 0.422255 0.601954 C\n0.002315 0.722996 0.892963 C\n0.676650 0.753549 0.823881 C\n0.392985 0.473108 0.367192 C\n0.765007 0.577745 0.398046 C\n0.734993 0.922255 0.898046 C\n0.676650 0.246451 0.323881 C\n0.323350 0.753549 0.676119 C\n0.749909 0.369909 0.586794 C\n0.500000 0.199196 0.750000 C\n0.892985 0.026892 0.632808 C\n0.734993 0.077745 0.398046 C\n0.750091 0.130091 0.086794 C\n0.607015 0.473108 0.132808 C\n0.497685 0.777004 0.392963 C\n0.392985 0.526892 0.867192 C\n0.107015 0.026892 0.867192 C\n0.500000 0.800804 0.250000 C\n0.234993 0.577745 0.101954 C\n0.997685 0.722996 0.607037 C\n0.000000 0.300804 0.250000 C\n0.750091 0.869909 0.586794 C\n0.502315 0.777004 0.107037 C\n0.249909 0.869909 0.913206 C\n0.249909 0.130091 0.413206 C\n0.265007 0.077745 0.101954 C\n0.107015 0.973108 0.367192 C\n0.250091 0.630091 0.413206 C\n0.176650 0.746451 0.176119 C\n0.607015 0.526892 0.632808 C\n0.765007 0.422255 0.898046 C\n0.997685 0.277004 0.107037 C\n0.265007 0.922255 0.601954 C\n0.002315 0.277004 0.392963 C\n0.219686 0.565920 0.260985 S\n0.219686 0.434080 0.760985 S\n0.719686 0.934080 0.739015 S\n0.780314 0.434080 0.739015 S\n0.280314 0.065920 0.260985 S\n0.280314 0.934080 0.760985 S\n0.719686 0.065920 0.239015 S\n0.780314 0.565920 0.239015 S\n0.495426 0.825536 0.441411 O\n0.000000 0.617489 0.750000 O\n0.500000 0.117489 0.750000 O\n0.504574 0.825536 0.058589 O\n0.995426 0.674464 0.558589 O\n0.004574 0.325536 0.441411 O\n0.500000 0.882511 0.250000 O\n0.504574 0.174464 0.558589 O\n0.004574 0.674464 0.941411 O\n0.995426 0.325536 0.058589 O\n0.000000 0.382511 0.250000 O\n0.495426 0.174464 0.941411 O\n0.556303 0.526184 0.567167 F\n0.211806 0.081296 0.868592 F\n0.110161 0.557162 0.106039 F\n0.254286 0.626814 0.041725 F\n0.389839 0.057162 0.106039 F\n0.195927 0.713324 0.398347 F\n0.181764 0.139935 0.473460 F\n0.254286 0.373186 0.541725 F\n0.211806 0.918704 0.368592 F\n0.711806 0.581296 0.631408 F\n0.556303 0.473816 0.067167 F\n0.201052 0.996403 0.097189 F\n0.701052 0.496403 0.402811 F\n0.389839 0.942838 0.606039 F\n0.201052 0.003597 0.597189 F\n0.554620 0.218150 0.324155 F\n0.610161 0.942838 0.893961 F\n0.693374 0.697731 0.766791 F\n0.977180 0.933075 0.177412 F\n0.943697 0.026184 0.567167 F\n0.193374 0.197731 0.733209 F\n0.306626 0.302269 0.233209 F\n0.804073 0.713324 0.101653 F\n0.054620 0.281850 0.675845 F\n0.788194 0.081296 0.631408 F\n0.054620 0.718150 0.175845 F\n0.318236 0.639935 0.473460 F\n0.943697 0.973816 0.067167 F\n0.298948 0.496403 0.097189 F\n0.554620 0.781850 0.824155 F\n0.745714 0.373186 0.958275 F\n0.788194 0.918704 0.131408 F\n0.843834 0.568149 0.074357 F\n0.754286 0.873186 0.958275 F\n0.245714 0.126814 0.041725 F\n0.056303 0.026184 0.932833 F\n0.681764 0.639935 0.026540 F\n0.181764 0.860065 0.973460 F\n0.693374 0.302269 0.266791 F\n0.656166 0.931851 0.574357 F\n0.701052 0.503597 0.902811 F\n0.843834 0.431851 0.574357 F\n0.798948 0.996403 0.402811 F\n0.745714 0.626814 0.458275 F\n0.806626 0.802269 0.266791 F\n0.522820 0.566925 0.677412 F\n0.193374 0.802269 0.233209 F\n0.443697 0.473816 0.432833 F\n0.803501 0.201746 0.882694 F\n0.696499 0.701746 0.882694 F\n0.022820 0.933075 0.322588 F\n0.945380 0.718150 0.324155 F\n0.303501 0.701746 0.617306 F\n0.977180 0.066925 0.677412 F\n0.818236 0.860065 0.526540 F\n0.303501 0.298254 0.117306 F\n0.477180 0.433075 0.322588 F\n0.803501 0.798254 0.382694 F\n0.022820 0.066925 0.822588 F\n0.196499 0.798254 0.117306 F\n0.477180 0.566925 0.822588 F\n0.304073 0.213324 0.398347 F\n0.798948 0.003597 0.902811 F\n0.196499 0.201746 0.617306 F\n0.445380 0.781850 0.675845 F\n0.318236 0.360065 0.973460 F\n0.056303 0.973816 0.432833 F\n0.298948 0.503597 0.597189 F\n0.711806 0.418704 0.131408 F\n0.110161 0.442838 0.606039 F\n0.343834 0.068149 0.425643 F\n0.695927 0.213324 0.101653 F\n0.156166 0.568149 0.425643 F\n0.681764 0.360065 0.526540 F\n0.945380 0.281850 0.824155 F\n0.610161 0.057162 0.393961 F\n0.656166 0.068149 0.074357 F\n0.889839 0.557162 0.393961 F\n0.443697 0.526184 0.932833 F\n0.696499 0.298254 0.382694 F\n0.889839 0.442838 0.893961 F\n0.343834 0.931851 0.925643 F\n0.818236 0.139935 0.026540 F\n0.288194 0.581296 0.868592 F\n0.245714 0.873186 0.541725 F\n0.304073 0.786676 0.898347 F\n0.195927 0.286676 0.898347 F\n0.306626 0.697731 0.733209 F\n0.156166 0.431851 0.925643 F\n0.804073 0.286676 0.601653 F\n0.695927 0.786676 0.601653 F\n0.754286 0.126814 0.458275 F\n0.445380 0.218150 0.175845 F\n0.806626 0.197731 0.766791 F\n0.288194 0.418704 0.368592 F\n0.522820 0.433075 0.177412 F\n",
            "nsites": 184,
            "nelements": 6,
            "elements": [
                "Ni",
                "P",
                "C",
                "S",
                "O",
                "F"
            ],
            "chemical_system": "C-F-Ni-O-P-S",
            "density": 2.1547885302532945,
            "density_atomic": 0.06340126792663141,
            "volume": 2902.150162247964,
            "volume_molar": 9.49845477375765,
            "formula_full": "Ni8 P16 C44 S8 O12 F96",
            "formula_reduced": "Ni2P4C11S2(OF8)3",
            "formula_anonymous": "A2B2C3D4E11F24",
            "energy": -1076.59129021,
            "energy_per_atom": -5.851039620706521,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -999.64329021,
            "band_gap": 4.396599999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004816,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:46.688000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-680193",
            "created_at": "2022-09-04T14:46:39.790602Z",
            "structure_string": "Ca32 Al48 O104\n1.0\n5.342970 0.000000 0.000000\n0.000000 17.898833 0.000000\n0.000000 0.000000 21.285240\nCa Al O\n32 48 104\ndirect\n0.477202 0.086879 0.494293 Ca\n0.022798 0.586879 0.505707 Ca\n0.529766 0.087022 0.756290 Ca\n0.510214 0.582729 0.124708 Ca\n0.989786 0.917271 0.624708 Ca\n0.006969 0.098154 0.624921 Ca\n0.522798 0.086879 0.994293 Ca\n0.493031 0.598154 0.375079 Ca\n0.993031 0.098154 0.124921 Ca\n0.489786 0.582729 0.624708 Ca\n0.989786 0.082729 0.875292 Ca\n0.529766 0.912978 0.743710 Ca\n0.470234 0.087022 0.256290 Ca\n0.022798 0.413121 0.994293 Ca\n0.029766 0.412978 0.756290 Ca\n0.506969 0.598154 0.875079 Ca\n0.493031 0.401846 0.124921 Ca\n0.970234 0.587022 0.243710 Ca\n0.993031 0.901846 0.375079 Ca\n0.977202 0.586879 0.005707 Ca\n0.510214 0.417271 0.375292 Ca\n0.470234 0.912978 0.243710 Ca\n0.522798 0.913121 0.505707 Ca\n0.506969 0.401846 0.624921 Ca\n0.029766 0.587022 0.743710 Ca\n0.006969 0.901846 0.875079 Ca\n0.010214 0.082729 0.375292 Ca\n0.477202 0.913121 0.005707 Ca\n0.489786 0.417271 0.875292 Ca\n0.970234 0.412978 0.256290 Ca\n0.010214 0.917271 0.124708 Ca\n0.977202 0.413121 0.494293 Ca\n0.483937 0.500000 0.250000 Al\n0.002377 0.283756 0.624846 Al\n0.608177 0.706823 0.742770 Al\n0.101225 0.793374 0.507310 Al\n0.601225 0.293374 0.992690 Al\n0.502377 0.783756 0.875154 Al\n0.504133 0.009483 0.624945 Al\n0.891823 0.206823 0.257230 Al\n0.495867 0.009483 0.124945 Al\n0.997623 0.716244 0.375154 Al\n0.936081 0.296827 0.875386 Al\n0.891823 0.793177 0.242770 Al\n0.601225 0.706626 0.507310 Al\n0.997623 0.283756 0.124846 Al\n0.936081 0.703173 0.624614 Al\n0.398775 0.706626 0.007310 Al\n0.004133 0.490517 0.624945 Al\n0.436081 0.796827 0.624614 Al\n0.995867 0.509483 0.375055 Al\n0.000000 0.000000 0.000000 Al\n0.004133 0.509483 0.875055 Al\n0.898775 0.793374 0.007310 Al\n0.563919 0.203173 0.375386 Al\n0.516063 0.500000 0.750000 Al\n0.608177 0.293177 0.757230 Al\n0.398775 0.293374 0.492690 Al\n0.391823 0.293177 0.257230 Al\n0.495867 0.990517 0.375055 Al\n0.108177 0.206823 0.757230 Al\n0.995867 0.490517 0.124945 Al\n0.504133 0.990517 0.875055 Al\n0.983937 0.000000 0.250000 Al\n0.016063 0.000000 0.750000 Al\n0.391823 0.706823 0.242770 Al\n0.101225 0.206626 0.992690 Al\n0.563919 0.796827 0.124614 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.063919 0.296827 0.375386 Al\n0.436081 0.203173 0.875386 Al\n0.898775 0.206626 0.492690 Al\n0.497623 0.216244 0.124846 Al\n0.108177 0.793177 0.742770 Al\n0.500000 0.500000 0.000000 Al\n0.497623 0.783756 0.375154 Al\n0.002377 0.716244 0.875154 Al\n0.502377 0.216244 0.624846 Al\n0.063919 0.703173 0.124614 Al\n0.979253 0.115663 0.990366 O\n0.737953 0.994531 0.311724 O\n0.469221 0.892006 0.124963 O\n0.530779 0.892006 0.624963 O\n0.751377 0.990406 0.938452 O\n0.737953 0.005469 0.188276 O\n0.826913 0.222575 0.574621 O\n0.431007 0.213211 0.783006 O\n0.494838 0.615147 0.740251 O\n0.479253 0.384337 0.990366 O\n0.494838 0.384853 0.759749 O\n0.495438 0.881563 0.875797 O\n0.994838 0.115147 0.759749 O\n0.995438 0.618437 0.875797 O\n0.101153 0.790684 0.624172 O\n0.248979 0.995634 0.937094 O\n0.504562 0.881563 0.375797 O\n0.180452 0.775648 0.824123 O\n0.237953 0.494531 0.188276 O\n0.030779 0.392006 0.875037 O\n0.736794 0.508613 0.312709 O\n0.262047 0.005469 0.688276 O\n0.004562 0.381563 0.124203 O\n0.969221 0.607994 0.124963 O\n0.748623 0.509594 0.438452 O\n0.573827 0.787480 0.032150 O\n0.173087 0.777425 0.425379 O\n0.762047 0.494531 0.688276 O\n0.398847 0.290684 0.375828 O\n0.505162 0.615147 0.240251 O\n0.398847 0.709316 0.124172 O\n0.819548 0.224352 0.175877 O\n0.931007 0.713211 0.716994 O\n0.673087 0.722575 0.425379 O\n0.601153 0.709316 0.624172 O\n0.068993 0.713211 0.216994 O\n0.173087 0.222575 0.074621 O\n0.680452 0.724352 0.824123 O\n0.319548 0.724352 0.324123 O\n0.680452 0.275648 0.675877 O\n0.969221 0.392006 0.375037 O\n0.751021 0.004366 0.062906 O\n0.748623 0.490406 0.061548 O\n0.326913 0.277425 0.574621 O\n0.819548 0.775648 0.324123 O\n0.073827 0.287480 0.467850 O\n0.495438 0.118437 0.624203 O\n0.236794 0.991387 0.312709 O\n0.568993 0.786789 0.216994 O\n0.005162 0.115147 0.259749 O\n0.263206 0.491387 0.687291 O\n0.530779 0.107994 0.875037 O\n0.926173 0.712520 0.532150 O\n0.426173 0.787480 0.532150 O\n0.469221 0.107994 0.375037 O\n0.763206 0.991387 0.812709 O\n0.520747 0.615663 0.009634 O\n0.898847 0.209316 0.375828 O\n0.979253 0.884337 0.509634 O\n0.601153 0.290684 0.875828 O\n0.504562 0.118437 0.124203 O\n0.262047 0.994531 0.811724 O\n0.251021 0.504366 0.437094 O\n0.826913 0.777425 0.925379 O\n0.263206 0.508613 0.812709 O\n0.236794 0.008613 0.187291 O\n0.180452 0.224352 0.675877 O\n0.751377 0.009594 0.561548 O\n0.005162 0.884853 0.240251 O\n0.068993 0.286789 0.283006 O\n0.479253 0.615663 0.509634 O\n0.319548 0.275648 0.175877 O\n0.073827 0.712520 0.032150 O\n0.426173 0.212520 0.967850 O\n0.520747 0.384337 0.490366 O\n0.994838 0.884853 0.740251 O\n0.237953 0.505469 0.311724 O\n0.995438 0.381563 0.624203 O\n0.748979 0.495634 0.562906 O\n0.568993 0.213211 0.283006 O\n0.004562 0.618437 0.375797 O\n0.248979 0.004366 0.562906 O\n0.326913 0.722575 0.925379 O\n0.898847 0.790684 0.124172 O\n0.748979 0.504366 0.937094 O\n0.101153 0.209316 0.875828 O\n0.926173 0.287480 0.967850 O\n0.573827 0.212520 0.467850 O\n0.763206 0.008613 0.687291 O\n0.736794 0.491387 0.187291 O\n0.762047 0.505469 0.811724 O\n0.030779 0.607994 0.624963 O\n0.931007 0.286789 0.783006 O\n0.251021 0.495634 0.062906 O\n0.673087 0.277425 0.074621 O\n0.251377 0.490406 0.561548 O\n0.431007 0.786789 0.716994 O\n0.248623 0.990406 0.438452 O\n0.505162 0.384853 0.259749 O\n0.751021 0.995634 0.437094 O\n0.020747 0.884337 0.009634 O\n0.251377 0.509594 0.938452 O\n0.020747 0.115663 0.490366 O\n0.248623 0.009594 0.061548 O\n",
            "nsites": 184,
            "nelements": 3,
            "elements": [
                "Ca",
                "Al",
                "O"
            ],
            "chemical_system": "Al-Ca-O",
            "density": 3.460090232210454,
            "density_atomic": 0.09039237970089675,
            "volume": 2035.5698191467638,
            "volume_molar": 6.662221727016061,
            "formula_full": "Ca32 Al48 O104",
            "formula_reduced": "Ca4Al6O13",
            "formula_anonymous": "A4B6C13",
            "energy": -1385.90863226,
            "energy_per_atom": -7.532112131847827,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1314.46063226,
            "band_gap": 3.6557,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0009631,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:42.355000Z",
            "spacegroup": 60
        }
    ]
}