GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=11458
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=-is_theoretical&page=11459",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=11457",
    "results": [
        {
            "id": "mp-15994",
            "created_at": "2022-09-04T14:39:36.616565Z",
            "structure_string": "Hg8 P16 O48\n1.0\n7.311529 0.000000 0.000000\n0.000000 9.989835 0.000000\n0.000000 0.000000 14.002874\nHg P O\n8 16 48\ndirect\n0.541082 0.995926 0.293882 Hg\n0.041082 0.504074 0.706118 Hg\n0.458918 0.495926 0.206118 Hg\n0.958918 0.004074 0.793882 Hg\n0.458918 0.004074 0.706118 Hg\n0.958918 0.495926 0.293882 Hg\n0.541082 0.504074 0.793882 Hg\n0.041082 0.995926 0.206118 Hg\n0.074941 0.297879 0.097780 P\n0.574941 0.202121 0.902220 P\n0.925059 0.797879 0.402220 P\n0.425059 0.702121 0.597780 P\n0.925059 0.702121 0.902220 P\n0.425059 0.797879 0.097780 P\n0.074941 0.202121 0.597780 P\n0.574941 0.297879 0.402220 P\n0.680989 0.214636 0.103263 P\n0.180989 0.285364 0.896737 P\n0.319011 0.714636 0.396737 P\n0.819011 0.785364 0.603263 P\n0.319011 0.785364 0.896737 P\n0.819011 0.714636 0.103263 P\n0.680989 0.285364 0.603263 P\n0.180989 0.214636 0.396737 P\n0.651386 0.141582 0.000908 O\n0.151386 0.358418 0.999092 O\n0.348614 0.641582 0.499092 O\n0.848614 0.858418 0.500908 O\n0.348614 0.858418 0.999092 O\n0.848614 0.641582 0.000908 O\n0.651386 0.358418 0.500908 O\n0.151386 0.141582 0.499092 O\n0.856038 0.310406 0.085946 O\n0.356038 0.189594 0.914054 O\n0.143962 0.810406 0.414054 O\n0.643962 0.689594 0.585946 O\n0.143962 0.689594 0.914054 O\n0.643962 0.810406 0.085946 O\n0.856038 0.189594 0.585946 O\n0.356038 0.310406 0.414054 O\n0.133808 0.153947 0.105025 O\n0.130605 0.397386 0.174273 O\n0.633808 0.346053 0.894975 O\n0.366192 0.846053 0.605025 O\n0.866192 0.846053 0.894975 O\n0.366192 0.653947 0.105025 O\n0.133808 0.346053 0.605025 O\n0.633808 0.153947 0.394975 O\n0.019015 0.302132 0.377516 O\n0.519015 0.197868 0.622484 O\n0.980985 0.802132 0.122484 O\n0.480985 0.697868 0.877516 O\n0.980985 0.697868 0.622484 O\n0.480985 0.802132 0.377516 O\n0.019015 0.197868 0.877516 O\n0.519015 0.302132 0.122484 O\n0.230867 0.105241 0.326804 O\n0.730868 0.394759 0.673196 O\n0.769132 0.605241 0.173196 O\n0.269132 0.894759 0.826804 O\n0.769132 0.894759 0.673196 O\n0.269132 0.605241 0.326804 O\n0.230867 0.394759 0.826804 O\n0.730868 0.105241 0.173196 O\n0.630605 0.397386 0.325727 O\n0.130605 0.102614 0.674273 O\n0.369395 0.897386 0.174273 O\n0.869395 0.602614 0.825727 O\n0.369395 0.602614 0.674273 O\n0.869395 0.897386 0.325727 O\n0.630605 0.102614 0.825727 O\n0.866192 0.653947 0.394975 O\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Hg",
                "P",
                "O"
            ],
            "chemical_system": "Hg-O-P",
            "density": 4.656779085263604,
            "density_atomic": 0.07039613142558727,
            "volume": 1022.7834760509263,
            "volume_molar": 8.554647305251066,
            "formula_full": "Hg8 P16 O48",
            "formula_reduced": "Hg(PO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -484.92697199,
            "energy_per_atom": -6.7350968331944445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -451.9509719900001,
            "band_gap": 2.5782000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0013308,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:33.380000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1079862",
            "created_at": "2022-09-04T14:39:36.638212Z",
            "structure_string": "Sr2 Tl4 Pd2\n1.0\n2.273541 -5.563091 0.000000\n2.273541 5.563091 0.000000\n0.000000 0.000000 8.457131\nSr Tl Pd\n2 4 2\ndirect\n0.565127 0.434873 0.750000 Sr\n0.434873 0.565127 0.250000 Sr\n0.852345 0.147655 0.949124 Tl\n0.147655 0.852345 0.050876 Tl\n0.852345 0.147655 0.550876 Tl\n0.147655 0.852345 0.449124 Tl\n0.719240 0.280760 0.250000 Pd\n0.280760 0.719240 0.750000 Pd\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Sr",
                "Tl",
                "Pd"
            ],
            "chemical_system": "Pd-Sr-Tl",
            "density": 9.358044019072027,
            "density_atomic": 0.0373953824265382,
            "volume": 213.93015610191162,
            "volume_molar": 16.103968910681058,
            "formula_full": "Sr2 Tl4 Pd2",
            "formula_reduced": "SrTl2Pd",
            "formula_anonymous": "ABC2",
            "energy": -26.69207652,
            "energy_per_atom": -3.336509565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.69207652,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.19e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.132000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1203975",
            "created_at": "2022-09-04T14:39:36.644449Z",
            "structure_string": "Y4 V20 H96 O104\n1.0\n-9.410235 -0.023949 1.369648\n0.076789 -9.809882 1.600141\n-0.041069 -0.153437 24.005167\nY V H O\n4 20 96 104\ndirect\n0.932151 0.024483 0.876474 Y\n0.067849 0.975517 0.123526 Y\n0.376802 0.493399 0.620115 Y\n0.623198 0.506601 0.379885 Y\n0.482666 0.281852 0.946162 V\n0.517334 0.718148 0.053838 V\n0.607695 0.276321 0.061878 V\n0.392305 0.723679 0.938122 V\n0.220632 0.465002 0.923493 V\n0.779368 0.534998 0.076507 V\n0.340142 0.463212 0.038048 V\n0.659858 0.536788 0.961952 V\n0.474829 0.460954 0.150038 V\n0.525171 0.539046 0.849962 V\n0.936348 0.194106 0.568590 V\n0.063652 0.805894 0.431410 V\n0.149375 0.235131 0.455302 V\n0.850625 0.764869 0.544698 V\n0.659065 0.016346 0.576850 V\n0.340934 0.983654 0.423150 V\n0.872236 0.053401 0.462456 V\n0.127764 0.946599 0.537544 V\n0.098474 0.095826 0.351307 V\n0.901526 0.904174 0.648693 V\n0.079960 0.258986 0.051670 H\n0.920040 0.741014 0.948330 H\n0.918289 0.246323 0.076320 H\n0.081711 0.753677 0.923680 H\n0.273440 0.193664 0.153143 H\n0.726560 0.806336 0.846857 H\n0.160616 0.148767 0.208462 H\n0.839384 0.851233 0.791538 H\n0.886627 0.154020 0.198619 H\n0.113373 0.845980 0.801381 H\n0.869256 0.000592 0.231070 H\n0.130744 0.999408 0.768930 H\n0.793695 0.249554 0.946983 H\n0.206305 0.750446 0.053017 H\n0.951200 0.286307 0.920564 H\n0.048800 0.713693 0.079436 H\n0.650970 0.092248 0.829740 H\n0.349030 0.907752 0.170260 H\n0.695498 0.229554 0.845722 H\n0.304502 0.770446 0.154278 H\n0.142034 0.229448 0.806969 H\n0.857966 0.770552 0.193031 H\n0.995316 0.311157 0.810912 H\n0.004684 0.688843 0.189088 H\n0.344187 0.986607 0.049189 H\n0.655813 0.013393 0.950811 H\n0.312536 0.142519 0.048110 H\n0.687464 0.857481 0.951890 H\n0.181493 0.147972 0.923880 H\n0.818507 0.852028 0.076120 H\n0.207385 0.991143 0.928926 H\n0.792615 0.008857 0.071074 H\n0.563174 0.306332 0.693362 H\n0.436826 0.693668 0.306638 H\n0.406930 0.303590 0.729487 H\n0.593070 0.696410 0.270513 H\n0.401398 0.208631 0.586434 H\n0.598602 0.791369 0.413566 H\n0.256606 0.254982 0.567363 H\n0.743394 0.745018 0.432637 H\n0.644406 0.336465 0.576113 H\n0.355594 0.663535 0.423887 H\n0.676204 0.494032 0.557373 H\n0.323796 0.505968 0.442627 H\n0.792121 0.252174 0.353718 H\n0.207879 0.747826 0.646282 H\n0.779327 0.331697 0.291565 H\n0.220673 0.668303 0.708435 H\n0.853270 0.366993 0.451792 H\n0.146730 0.633007 0.548208 H\n0.887580 0.523848 0.433572 H\n0.112420 0.476152 0.566428 H\n0.464296 0.256078 0.446257 H\n0.535704 0.743922 0.553743 H\n0.613779 0.244956 0.466226 H\n0.386221 0.755044 0.533774 H\n0.174894 0.287180 0.690440 H\n0.825106 0.712820 0.309560 H\n0.082177 0.425747 0.683028 H\n0.917823 0.574253 0.316972 H\n0.419320 0.411939 0.299798 H\n0.580680 0.588061 0.700202 H\n0.391719 0.306640 0.357664 H\n0.608281 0.693360 0.642336 H\n0.378974 0.173626 0.811519 H\n0.621026 0.826374 0.188481 H\n0.339345 0.327754 0.818461 H\n0.660655 0.672246 0.181539 H\n0.444279 0.977763 0.861568 H\n0.555721 0.022237 0.138432 H\n0.483230 0.977968 0.794379 H\n0.516770 0.022032 0.205621 H\n0.142436 0.492826 0.171175 H\n0.857564 0.507174 0.828825 H\n0.099071 0.501488 0.237734 H\n0.900929 0.498512 0.762266 H\n0.926006 0.388006 0.210047 H\n0.073994 0.611994 0.789953 H\n0.774182 0.375131 0.194066 H\n0.225818 0.624869 0.805934 H\n0.117393 0.078765 0.676023 H\n0.882607 0.921235 0.323977 H\n0.275122 0.048915 0.687540 H\n0.724878 0.951085 0.312460 H\n0.747894 0.219093 0.747039 H\n0.252106 0.780907 0.252961 H\n0.791848 0.189249 0.684690 H\n0.208152 0.810751 0.315310 H\n0.154574 0.576014 0.316406 H\n0.845426 0.423986 0.683594 H\n0.101668 0.420672 0.338117 H\n0.898332 0.579328 0.661883 H\n0.441181 0.082436 0.294977 H\n0.558819 0.917564 0.705023 H\n0.528358 0.196557 0.251974 H\n0.471642 0.803443 0.748026 H\n0.523525 0.119841 0.950372 O\n0.476475 0.880159 0.049628 O\n0.297661 0.287914 0.933041 O\n0.702339 0.712086 0.066959 O\n0.561436 0.351699 0.872710 O\n0.438564 0.648301 0.127290 O\n0.418633 0.283940 0.031504 O\n0.581367 0.716060 0.968496 O\n0.659466 0.340382 0.976310 O\n0.340534 0.659618 0.023690 O\n0.448230 0.500293 0.951764 O\n0.551770 0.499707 0.048236 O\n0.644605 0.111912 0.066480 O\n0.355395 0.888088 0.933520 O\n0.515045 0.285321 0.133014 O\n0.484955 0.714679 0.866986 O\n0.776876 0.347017 0.072859 O\n0.223125 0.652983 0.927141 O\n0.062282 0.436023 0.909203 O\n0.937718 0.563977 0.090797 O\n0.334149 0.502759 0.850766 O\n0.665851 0.497241 0.149234 O\n0.188136 0.435612 0.009248 O\n0.811864 0.564388 0.990752 O\n0.296965 0.438676 0.111727 O\n0.703035 0.561324 0.888273 O\n0.410441 0.429645 0.218333 O\n0.589559 0.570355 0.781667 O\n0.974992 0.349177 0.576769 O\n0.025008 0.650823 0.423231 O\n0.741331 0.187343 0.578804 O\n0.258669 0.812657 0.421196 O\n0.950369 0.091919 0.639630 O\n0.049631 0.908081 0.360370 O\n0.939384 0.223355 0.482158 O\n0.060616 0.776645 0.517842 O\n0.135440 0.139015 0.538023 O\n0.864560 0.860985 0.461977 O\n0.089779 0.016883 0.452295 O\n0.910221 0.983117 0.547705 O\n0.186186 0.389717 0.464247 O\n0.813814 0.610283 0.535753 O\n0.120810 0.258324 0.380232 O\n0.879190 0.741676 0.619768 O\n0.329909 0.163080 0.440201 O\n0.670091 0.836920 0.559799 O\n0.088487 0.150301 0.283767 O\n0.911513 0.849699 0.716233 O\n0.288216 0.052991 0.351768 O\n0.711784 0.947009 0.648232 O\n0.489269 0.046215 0.591887 O\n0.510731 0.953785 0.408113 O\n0.696978 0.076605 0.491739 O\n0.303022 0.923395 0.508261 O\n0.889309 0.110487 0.389489 O\n0.110691 0.889513 0.610511 O\n0.009387 0.193999 0.074656 O\n0.990613 0.806001 0.925344 O\n0.196398 0.129170 0.169839 O\n0.803602 0.870830 0.830161 O\n0.901103 0.057690 0.193076 O\n0.098897 0.942310 0.806924 O\n0.880744 0.211318 0.926906 O\n0.119256 0.788682 0.073094 O\n0.737088 0.149643 0.829566 O\n0.262912 0.850357 0.170434 O\n0.036502 0.217737 0.813958 O\n0.963498 0.782263 0.186042 O\n0.264310 0.051537 0.055966 O\n0.735690 0.948463 0.944034 O\n0.136975 0.062404 0.918844 O\n0.863025 0.937596 0.081156 O\n0.462981 0.333018 0.690747 O\n0.537019 0.666983 0.309253 O\n0.337440 0.288086 0.582828 O\n0.662560 0.711914 0.417172 O\n0.598439 0.427607 0.573591 O\n0.401561 0.572393 0.426409 O\n0.748820 0.332766 0.332949 O\n0.251180 0.667234 0.667051 O\n0.813214 0.454792 0.434437 O\n0.186786 0.545208 0.565563 O\n0.550707 0.311748 0.447449 O\n0.449293 0.688252 0.552551 O\n0.180054 0.387803 0.683446 O\n0.819946 0.612197 0.316555 O\n0.442630 0.390613 0.338873 O\n0.557370 0.609387 0.661127 O\n0.323713 0.255422 0.796527 O\n0.676287 0.744578 0.203474 O\n0.484755 0.034481 0.825219 O\n0.515245 0.965519 0.174781 O\n0.065035 0.515568 0.199804 O\n0.934965 0.484432 0.800196 O\n0.841773 0.325733 0.217742 O\n0.158227 0.674267 0.782258 O\n0.186695 0.091002 0.701868 O\n0.813305 0.908998 0.298132 O\n0.740362 0.254553 0.706593 O\n0.259638 0.745447 0.293407 O\n0.088330 0.505702 0.311024 O\n0.911670 0.494298 0.688976 O\n0.524350 0.097849 0.264430 O\n0.475650 0.902151 0.735570 O\n",
            "nsites": 224,
            "nelements": 4,
            "elements": [
                "Y",
                "V",
                "H",
                "O"
            ],
            "chemical_system": "H-O-V-Y",
            "density": 2.352309083090618,
            "density_atomic": 0.1012125887920485,
            "volume": 2213.1634283184935,
            "volume_molar": 5.94999182599024,
            "formula_full": "Y4 V20 H96 O104",
            "formula_reduced": "YV5(H12O13)2",
            "formula_anonymous": "AB5C24D26",
            "energy": -1432.3246094,
            "energy_per_atom": -6.394306291964286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -1326.8766094,
            "band_gap": 2.4156,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004735,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:44.846000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-559672",
            "created_at": "2022-09-04T14:39:36.656237Z",
            "structure_string": "K4 Ni4 As4 O16\n1.0\n-2.286299 -4.333995 1.266712\n4.893739 -0.003853 8.818959\n-7.513906 4.334001 1.266749\nK Ni As O\n4 4 4 16\ndirect\n0.500000 0.132947 0.210981 K\n0.000000 0.132947 0.710982 K\n0.500000 0.867053 0.789018 K\n0.000000 0.867053 0.289019 K\n0.499999 0.495558 0.665185 Ni\n0.000001 0.504442 0.834815 Ni\n0.999999 0.495561 0.165186 Ni\n0.500001 0.504439 0.334814 Ni\n0.500010 0.681157 0.060392 As\n0.000009 0.681157 0.560395 As\n0.499991 0.318843 0.939605 As\n0.999990 0.318843 0.439608 As\n0.500002 0.142690 0.880898 O\n0.000002 0.142689 0.380896 O\n0.499998 0.857311 0.119104 O\n0.999998 0.857310 0.619102 O\n0.340399 0.625164 0.876510 O\n0.840401 0.625163 0.376508 O\n0.331988 0.625164 0.204126 O\n0.831987 0.625164 0.704124 O\n0.172384 0.374830 0.955472 O\n0.672386 0.374831 0.455472 O\n0.659599 0.374837 0.123492 O\n0.159601 0.374836 0.623490 O\n0.827614 0.625169 0.044528 O\n0.327616 0.625170 0.544528 O\n0.668013 0.374836 0.795876 O\n0.168012 0.374836 0.295874 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "K",
                "Ni",
                "As",
                "O"
            ],
            "chemical_system": "As-K-Ni-O",
            "density": 3.67108751508686,
            "density_atomic": 0.06537706559368485,
            "volume": 428.28474703986535,
            "volume_molar": 9.211396542982365,
            "formula_full": "K4 Ni4 As4 O16",
            "formula_reduced": "KNiAsO4",
            "formula_anonymous": "ABCD4",
            "energy": -175.68060895,
            "energy_per_atom": -6.2743074624999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -154.52460895,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:28.412000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1192313",
            "created_at": "2022-09-04T14:39:36.684804Z",
            "structure_string": "Ce16 Ga6 Co2\n1.0\n0.000000 0.000000 -6.437272\n-5.084842 -8.844468 0.000000\n-5.084842 8.844468 0.000000\nCe Ga Co\n16 6 2\ndirect\n0.459088 0.178113 0.821887 Ce\n0.461066 0.643883 0.821554 Ce\n0.461066 0.178446 0.356117 Ce\n0.959088 0.821887 0.178113 Ce\n0.961066 0.356117 0.178446 Ce\n0.961066 0.821554 0.643883 Ce\n0.874491 0.332755 0.667245 Ce\n0.374491 0.667245 0.332755 Ce\n0.232535 0.467965 0.532035 Ce\n0.231712 0.065204 0.532714 Ce\n0.231712 0.467286 0.934796 Ce\n0.732535 0.532035 0.467965 Ce\n0.731712 0.934796 0.467286 Ce\n0.731712 0.532714 0.065204 Ce\n0.211436 0.000048 0.999952 Ce\n0.711436 0.999952 0.000048 Ce\n0.964539 0.163836 0.836164 Ga\n0.965548 0.671783 0.835716 Ga\n0.965548 0.164284 0.328217 Ga\n0.464539 0.836164 0.163836 Ga\n0.465548 0.328217 0.164284 Ga\n0.465548 0.835716 0.671783 Ga\n0.478259 0.333464 0.666536 Co\n0.978259 0.666536 0.333464 Co\n",
            "nsites": 24,
            "nelements": 3,
            "elements": [
                "Ce",
                "Ga",
                "Co"
            ],
            "chemical_system": "Ce-Co-Ga",
            "density": 7.9672738734909645,
            "density_atomic": 0.04145054147469895,
            "volume": 579.0032927470777,
            "volume_molar": 14.528497205943289,
            "formula_full": "Ce16 Ga6 Co2",
            "formula_reduced": "Ce8Ga3Co",
            "formula_anonymous": "AB3C8",
            "energy": -134.43520838,
            "energy_per_atom": -5.601467015833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -134.43520838,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.4661577,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:26.503000Z",
            "spacegroup": 186
        },
        {
            "id": "mp-601302",
            "created_at": "2022-09-04T14:39:36.651407Z",
            "structure_string": "Gd4 P8 H36 O44\n1.0\n11.483960 0.000000 0.000000\n0.000000 6.728783 0.000000\n0.000000 6.239165 12.000355\nGd P H O\n4 8 36 44\ndirect\n0.583148 0.411505 0.840682 Gd\n0.416852 0.588495 0.159318 Gd\n0.916852 0.411505 0.340682 Gd\n0.083148 0.588495 0.659318 Gd\n0.549358 0.103237 0.142815 P\n0.632406 0.684721 0.337160 P\n0.867594 0.684721 0.837160 P\n0.132406 0.315279 0.162840 P\n0.049358 0.896763 0.357185 P\n0.950642 0.103237 0.642815 P\n0.450642 0.896763 0.857185 P\n0.367594 0.315279 0.662840 P\n0.600403 0.655786 0.591699 H\n0.653940 0.041507 0.668957 H\n0.010713 0.767804 0.923048 H\n0.211601 0.778059 0.941908 H\n0.399597 0.344214 0.408301 H\n0.119716 0.205447 0.512390 H\n0.880284 0.794553 0.487610 H\n0.153940 0.958493 0.831043 H\n0.659890 0.302127 0.308658 H\n0.346060 0.958493 0.331043 H\n0.731365 0.097370 0.313746 H\n0.214795 0.244656 0.885361 H\n0.899597 0.655786 0.091699 H\n0.159890 0.697873 0.191342 H\n0.334670 0.445082 0.926223 H\n0.231365 0.902630 0.186254 H\n0.285205 0.244656 0.385361 H\n0.834670 0.554918 0.573777 H\n0.380284 0.205447 0.012390 H\n0.840110 0.302127 0.808658 H\n0.788399 0.221941 0.058092 H\n0.714795 0.755344 0.614639 H\n0.288399 0.778059 0.441908 H\n0.785205 0.755344 0.114639 H\n0.268635 0.902630 0.686254 H\n0.165330 0.445082 0.426223 H\n0.846060 0.041507 0.168957 H\n0.619716 0.794553 0.987610 H\n0.510713 0.232196 0.576952 H\n0.100403 0.344214 0.908301 H\n0.989287 0.232196 0.076952 H\n0.768635 0.097370 0.813746 H\n0.489287 0.767804 0.423048 H\n0.711601 0.221941 0.558092 H\n0.340110 0.697873 0.691342 H\n0.665330 0.554918 0.073777 H\n0.349697 0.347353 0.348933 O\n0.352716 0.066774 0.768925 O\n0.922916 0.729909 0.932003 O\n0.554209 0.544741 0.303651 O\n0.077084 0.270091 0.067997 O\n0.763347 0.229760 0.825744 O\n0.263347 0.770240 0.674256 O\n0.744929 0.601395 0.871471 O\n0.121008 0.315267 0.432667 O\n0.422916 0.270091 0.567997 O\n0.150303 0.347353 0.848933 O\n0.054209 0.455259 0.196349 O\n0.137132 0.828361 0.901618 O\n0.621008 0.684733 0.067333 O\n0.046486 0.957161 0.631157 O\n0.852716 0.933226 0.731075 O\n0.879436 0.234835 0.536306 O\n0.945791 0.544741 0.803651 O\n0.495862 0.751027 0.806574 O\n0.362868 0.828361 0.401618 O\n0.445791 0.455259 0.696349 O\n0.236653 0.770240 0.174256 O\n0.953514 0.042839 0.368843 O\n0.453514 0.957161 0.131157 O\n0.379436 0.765165 0.963694 O\n0.004138 0.751027 0.306574 O\n0.255071 0.398605 0.128529 O\n0.147284 0.066774 0.268925 O\n0.546486 0.042839 0.868843 O\n0.577084 0.729909 0.432003 O\n0.849697 0.652647 0.151067 O\n0.995862 0.248973 0.693426 O\n0.378992 0.315267 0.932667 O\n0.862868 0.171639 0.098382 O\n0.504138 0.248973 0.193426 O\n0.755071 0.601395 0.371471 O\n0.620564 0.234835 0.036306 O\n0.244929 0.398605 0.628529 O\n0.650303 0.652647 0.651067 O\n0.647284 0.933226 0.231075 O\n0.120564 0.765165 0.463694 O\n0.637132 0.171639 0.598382 O\n0.736653 0.229760 0.325744 O\n0.878992 0.684733 0.567333 O\n",
            "nsites": 92,
            "nelements": 4,
            "elements": [
                "Gd",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Gd-H-O-P",
            "density": 2.8956771158011327,
            "density_atomic": 0.09921230500547995,
            "volume": 927.3043297897214,
            "volume_molar": 6.069953479729525,
            "formula_full": "Gd4 P8 H36 O44",
            "formula_reduced": "GdP2H9O11",
            "formula_anonymous": "AB2C9D11",
            "energy": -624.89526224,
            "energy_per_atom": -6.792339806956521,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -594.66726224,
            "band_gap": 2.9608,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 27.9981028,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:39.017000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-2097",
            "created_at": "2022-09-04T14:39:36.676703Z",
            "structure_string": "Sn2 O2\n1.0\n3.870595 0.000000 0.000000\n0.000000 3.870595 0.000000\n0.000000 0.000000 5.025226\nSn O\n2 2\ndirect\n0.000000 0.500000 0.231255 Sn\n0.500000 0.000000 0.768745 Sn\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Sn",
                "O"
            ],
            "chemical_system": "O-Sn",
            "density": 5.942455446379406,
            "density_atomic": 0.05313111508252935,
            "volume": 75.28545173175343,
            "volume_molar": 11.334489687720124,
            "formula_full": "Sn2 O2",
            "formula_reduced": "SnO",
            "formula_anonymous": "AB",
            "energy": -24.43387533,
            "energy_per_atom": -6.1084688325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -23.05987533,
            "band_gap": 0.4096000000000002,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.3e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:25.096000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-9056",
            "created_at": "2022-09-04T14:39:36.677609Z",
            "structure_string": "Zr1 Pd1 F6\n1.0\n5.182641 -2.831803 0.000000\n5.182641 2.831803 0.000000\n3.635340 0.000000 4.654372\nZr Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Pd\n0.258850 0.643049 0.837984 F\n0.837984 0.258850 0.643049 F\n0.356951 0.162016 0.741150 F\n0.162016 0.741150 0.356951 F\n0.741150 0.356951 0.162016 F\n0.643049 0.837984 0.258850 F\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Zr",
                "Pd",
                "F"
            ],
            "chemical_system": "F-Pd-Zr",
            "density": 3.78781940779545,
            "density_atomic": 0.05855779785466511,
            "volume": 136.6171593381165,
            "volume_molar": 10.284097047068574,
            "formula_full": "Zr1 Pd1 F6",
            "formula_reduced": "ZrPdF6",
            "formula_anonymous": "ABC6",
            "energy": -49.35218144,
            "energy_per_atom": -6.16902268,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.58018144,
            "band_gap": 0.9909,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0000001,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:24.636000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-504573",
            "created_at": "2022-09-04T14:39:36.692203Z",
            "structure_string": "Cr4 Cu2 O8\n1.0\n-0.001004 0.001422 5.972853\n5.178399 -0.001422 -2.976433\n1.733176 4.879747 2.976432\nCr Cu O\n4 2 8\ndirect\n0.000000 0.500000 0.500000 Cr\n0.500001 0.500000 0.499999 Cr\n0.000000 0.000000 0.499999 Cr\n0.500000 0.500000 0.000000 Cr\n0.749999 0.125000 0.125001 Cu\n0.250000 0.875000 0.875000 Cu\n0.975467 0.737020 0.738447 O\n0.524533 0.286087 0.738447 O\n0.975468 0.738447 0.286086 O\n0.475467 0.261553 0.262980 O\n0.024533 0.261554 0.713913 O\n0.475467 0.713914 0.261554 O\n0.524533 0.738447 0.737020 O\n0.024532 0.262979 0.261554 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Cr",
                "Cu",
                "O"
            ],
            "chemical_system": "Cr-Cu-O",
            "density": 5.095729605156711,
            "density_atomic": 0.09277632520513218,
            "volume": 150.90056616324733,
            "volume_molar": 6.491031787134062,
            "formula_full": "Cr4 Cu2 O8",
            "formula_reduced": "Cr2CuO4",
            "formula_anonymous": "AB2C4",
            "energy": -113.51742875,
            "energy_per_atom": -8.108387767857142,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.02542875,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0033673,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:35.165000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-1079780",
            "created_at": "2022-09-04T14:39:37.946300Z",
            "structure_string": "La3 Hg3 Pd3\n1.0\n3.946813 -6.836081 0.000000\n3.946813 6.836081 0.000000\n0.000000 0.000000 4.060529\nLa Hg Pd\n3 3 3\ndirect\n0.405329 0.405329 0.500000 La\n0.594671 0.000000 0.500000 La\n0.000000 0.594671 0.500000 La\n0.744429 0.744429 0.000000 Hg\n0.255571 0.000000 0.000000 Hg\n0.000000 0.255571 0.000000 Hg\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "La",
                "Hg",
                "Pd"
            ],
            "chemical_system": "Hg-La-Pd",
            "density": 10.138099036799566,
            "density_atomic": 0.041074865238153346,
            "volume": 219.11210049790108,
            "volume_molar": 14.661376793529184,
            "formula_full": "La3 Hg3 Pd3",
            "formula_reduced": "LaHgPd",
            "formula_anonymous": "ABC",
            "energy": -37.75312261,
            "energy_per_atom": -4.194791401111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -37.75312261,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009848,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:35.613000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-17366",
            "created_at": "2022-09-04T14:39:36.693132Z",
            "structure_string": "Ho8 Si4 S4 O16\n1.0\n6.114002 0.000000 0.000000\n0.000000 6.921843 0.000000\n0.000000 0.000000 10.695149\nHo Si S O\n8 4 4 16\ndirect\n0.383826 0.750000 0.500000 Ho\n0.383826 0.750000 0.000000 Ho\n0.616174 0.250000 0.500000 Ho\n0.616174 0.250000 0.000000 Ho\n0.843857 0.527974 0.750000 Ho\n0.843857 0.972026 0.250000 Ho\n0.156143 0.027974 0.750000 Ho\n0.156143 0.472026 0.250000 Ho\n0.122017 0.250000 0.000000 Si\n0.877983 0.750000 0.000000 Si\n0.877983 0.750000 0.500000 Si\n0.122017 0.250000 0.500000 Si\n0.523329 0.813215 0.750000 S\n0.523329 0.686785 0.250000 S\n0.476671 0.313215 0.750000 S\n0.476671 0.186785 0.250000 S\n0.285028 0.433486 0.028865 O\n0.285028 0.066514 0.971135 O\n0.714972 0.933486 0.471135 O\n0.714972 0.566514 0.528865 O\n0.714972 0.566514 0.971135 O\n0.714972 0.933486 0.028865 O\n0.285028 0.066514 0.528865 O\n0.285028 0.433486 0.471135 O\n0.039334 0.737780 0.122684 O\n0.039334 0.737780 0.377316 O\n0.960666 0.237780 0.377316 O\n0.960666 0.262220 0.622684 O\n0.960666 0.262220 0.877316 O\n0.960666 0.237780 0.122684 O\n0.039334 0.762220 0.622684 O\n0.039334 0.762220 0.877316 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Ho",
                "Si",
                "S",
                "O"
            ],
            "chemical_system": "Ho-O-S-Si",
            "density": 6.662529453214623,
            "density_atomic": 0.0706994146390571,
            "volume": 452.62043771324176,
            "volume_molar": 8.517949958631107,
            "formula_full": "Ho8 Si4 S4 O16",
            "formula_reduced": "Ho2SiSO4",
            "formula_anonymous": "ABC2D4",
            "energy": -264.66612489,
            "energy_per_atom": -8.2708164028125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -251.66212489,
            "band_gap": 2.6279000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0030414,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:38.837000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-1207780",
            "created_at": "2022-09-04T14:39:37.441159Z",
            "structure_string": "Y12 Rh4\n1.0\n6.303588 0.000000 0.000000\n0.000000 7.242159 0.000000\n0.000000 0.000000 9.526733\nY Rh\n12 4\ndirect\n0.638638 0.034855 0.250000 Y\n0.361362 0.965145 0.750000 Y\n0.138638 0.465145 0.750000 Y\n0.861362 0.534855 0.250000 Y\n0.170363 0.179076 0.064155 Y\n0.829637 0.820924 0.935845 Y\n0.670363 0.320924 0.935845 Y\n0.829637 0.820924 0.564155 Y\n0.329637 0.679076 0.064155 Y\n0.170363 0.179076 0.435845 Y\n0.329637 0.679076 0.435845 Y\n0.670363 0.320924 0.564155 Y\n0.443726 0.382509 0.250000 Rh\n0.556274 0.617491 0.750000 Rh\n0.943726 0.117491 0.750000 Rh\n0.056274 0.882509 0.250000 Rh\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "Y",
                "Rh"
            ],
            "chemical_system": "Rh-Y",
            "density": 5.645056148011324,
            "density_atomic": 0.03678918047256593,
            "volume": 434.91047624535605,
            "volume_molar": 16.369325662176063,
            "formula_full": "Y12 Rh4",
            "formula_reduced": "Y3Rh",
            "formula_anonymous": "AB3",
            "energy": -115.16988947,
            "energy_per_atom": -7.198118091875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -115.16988947,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0081998,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:31.042000Z",
            "spacegroup": 62
        }
    ]
}