GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=24
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=-formation_energy_per_atom&page=25",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=23",
    "results": [
        {
            "id": "mp-1518216",
            "created_at": "2022-09-04T14:46:55.338941Z",
            "structure_string": "K4 Ca4 Ce4 Bi4 O24\n1.0\n8.549238 0.000000 0.000000\n0.000000 8.528393 0.000000\n0.000000 0.000000 8.456467\nK Ca Ce Bi O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 -0.000000 K\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n-0.000000 0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.250000 Ce\n0.750000 0.250000 0.750000 Ce\n0.250000 0.750000 0.750000 Ce\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.993438 0.207464 0.304016 O\n0.006562 0.792536 0.304016 O\n0.006562 0.207464 0.695984 O\n0.993438 0.792536 0.695984 O\n0.273901 0.996536 0.286167 O\n0.273901 0.003464 0.713833 O\n0.726099 0.003464 0.286167 O\n0.726099 0.996536 0.713833 O\n0.196848 0.202234 0.993451 O\n0.803152 0.202234 0.006549 O\n0.196848 0.797766 0.006549 O\n0.803152 0.797766 0.993451 O\n0.506562 0.292536 0.195984 O\n0.493438 0.707464 0.195984 O\n0.493438 0.292536 0.804016 O\n0.506562 0.707464 0.804016 O\n0.226099 0.503464 0.213833 O\n0.226099 0.496536 0.786167 O\n0.773901 0.496536 0.213833 O\n0.773901 0.503464 0.786167 O\n0.303152 0.297766 0.506549 O\n0.696848 0.297766 0.493451 O\n0.303152 0.702234 0.493451 O\n0.696848 0.702234 0.506549 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "K",
                "Ca",
                "Ce",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Ca-Ce-K-O",
            "density": 5.647806115918415,
            "density_atomic": 0.06487485802043903,
            "volume": 616.5716769260268,
            "volume_molar": 9.282703567694446,
            "formula_full": "K4 Ca4 Ce4 Bi4 O24",
            "formula_reduced": "KCaCeBiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -274.57374331,
            "energy_per_atom": -6.86434358275,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -258.08574331,
            "band_gap": 1.6069999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:50.767000Z",
            "spacegroup": 48
        },
        {
            "id": "mp-1097707",
            "created_at": "2022-09-04T14:46:55.351274Z",
            "structure_string": "Cu96 Se48\n1.0\n12.634543 0.000065 0.000108\n0.000012 12.400662 -6.082667\n0.000132 0.056012 15.654067\nCu Se\n96 48\ndirect\n0.458023 0.647177 0.828237 Cu\n0.393152 0.956621 0.143080 Cu\n0.290838 0.751525 0.025496 Cu\n0.041920 0.147172 0.828250 Cu\n0.554142 0.324663 0.685505 Cu\n0.592166 0.716598 0.992039 Cu\n0.849004 0.560611 0.057245 Cu\n0.668818 0.995067 0.552740 Cu\n0.417352 0.720305 0.496953 Cu\n0.750482 0.923224 0.140397 Cu\n0.290745 0.574822 0.214654 Cu\n0.731736 0.213705 0.637582 Cu\n0.248979 0.856529 0.779386 Cu\n0.397529 0.951485 0.612288 Cu\n0.573717 0.838656 0.900049 Cu\n0.860532 0.061539 0.074662 Cu\n0.650986 0.060614 0.057231 Cu\n0.698862 0.361175 0.282882 Cu\n0.092175 0.783419 0.007971 Cu\n0.784144 0.229144 0.477424 Cu\n0.261770 0.920179 0.271204 Cu\n0.941059 0.075297 0.390988 Cu\n0.954350 0.328011 0.702841 Cu\n0.407767 0.693960 0.132918 Cu\n0.582648 0.279695 0.503047 Cu\n0.768265 0.713708 0.637568 Cu\n0.150996 0.439389 0.942755 Cu\n0.215856 0.770856 0.522576 Cu\n0.168832 0.504937 0.447263 Cu\n0.386386 0.159459 0.621698 Cu\n0.748981 0.643465 0.220593 Cu\n0.790749 0.925178 0.785344 Cu\n0.426283 0.161344 0.099951 Cu\n0.751021 0.143471 0.220614 Cu\n0.268264 0.786295 0.362418 Cu\n0.238240 0.420189 0.271203 Cu\n0.558944 0.575297 0.390996 Cu\n0.250482 0.576773 0.859605 Cu\n0.369994 0.484950 0.419195 Cu\n0.092234 0.193958 0.132917 Cu\n0.869993 0.015053 0.580805 Cu\n0.541977 0.352823 0.171763 Cu\n0.761760 0.579811 0.728797 Cu\n0.749518 0.423227 0.140395 Cu\n0.432611 0.112700 0.777291 Cu\n0.231735 0.286292 0.362432 Cu\n0.445858 0.675337 0.314496 Cu\n0.790842 0.748483 0.974514 Cu\n0.926332 0.338636 0.900075 Cu\n0.639468 0.561534 0.074662 Cu\n0.407834 0.283402 0.007961 Cu\n0.630006 0.515050 0.580805 Cu\n0.567389 0.887300 0.222709 Cu\n0.082660 0.220294 0.496944 Cu\n0.738230 0.079821 0.728796 Cu\n0.592233 0.306040 0.867082 Cu\n0.045650 0.671989 0.297159 Cu\n0.054138 0.175338 0.314490 Cu\n0.113616 0.659452 0.621696 Cu\n0.349014 0.939386 0.942769 Cu\n0.893162 0.543368 0.856916 Cu\n0.545649 0.828013 0.702835 Cu\n0.907825 0.216581 0.992029 Cu\n0.945862 0.824662 0.685511 Cu\n0.067428 0.612648 0.777259 Cu\n0.606848 0.043379 0.856920 Cu\n0.602471 0.048515 0.387712 Cu\n0.331182 0.004933 0.447260 Cu\n0.715856 0.729144 0.477423 Cu\n0.709162 0.248475 0.974504 Cu\n0.917340 0.779706 0.503056 Cu\n0.209158 0.251517 0.025486 Cu\n0.209251 0.074822 0.214656 Cu\n0.284144 0.270856 0.522577 Cu\n0.613614 0.840541 0.378302 Cu\n0.454351 0.171987 0.297165 Cu\n0.106838 0.456632 0.143084 Cu\n0.958080 0.852828 0.171750 Cu\n0.198859 0.138832 0.717134 Cu\n0.441056 0.424703 0.609004 Cu\n0.102508 0.451425 0.612242 Cu\n0.907766 0.806042 0.867083 Cu\n0.058941 0.924703 0.609012 Cu\n0.251019 0.356535 0.779407 Cu\n0.301138 0.638825 0.717118 Cu\n0.932572 0.387352 0.222741 Cu\n0.831168 0.495063 0.552737 Cu\n0.249518 0.076776 0.859603 Cu\n0.709255 0.425178 0.785346 Cu\n0.360532 0.438466 0.925338 Cu\n0.130007 0.984947 0.419195 Cu\n0.897492 0.548575 0.387758 Cu\n0.139468 0.938461 0.925338 Cu\n0.886384 0.340548 0.378304 Cu\n0.073668 0.661364 0.099925 Cu\n0.801141 0.861168 0.282866 Cu\n0.570450 0.908096 0.069980 Se\n0.210240 0.132347 0.556053 Se\n0.561890 0.141177 0.553881 Se\n0.081570 0.293167 0.795226 Se\n0.710240 0.367651 0.443949 Se\n0.418425 0.793187 0.795228 Se\n0.771130 0.076300 0.945682 Se\n0.232603 0.726720 0.192786 Se\n0.573075 0.987065 0.688930 Se\n0.573226 0.711127 0.212662 Se\n0.070450 0.591909 0.930013 Se\n0.734814 0.542803 0.312456 Se\n0.429550 0.091904 0.930020 Se\n0.079786 0.987935 0.274179 Se\n0.926934 0.487059 0.688923 Se\n0.080655 0.114337 0.960903 Se\n0.073231 0.788854 0.787337 Se\n0.089551 0.828150 0.441374 Se\n0.410448 0.328150 0.441374 Se\n0.228870 0.923700 0.054318 Se\n0.918430 0.706833 0.204774 Se\n0.234819 0.957202 0.687543 Se\n0.728875 0.576308 0.945684 Se\n0.267384 0.226727 0.192794 Se\n0.919345 0.885663 0.039097 Se\n0.920214 0.012065 0.725821 Se\n0.579776 0.512070 0.725827 Se\n0.061886 0.358820 0.446106 Se\n0.073066 0.512941 0.311077 Se\n0.589552 0.671850 0.558626 Se\n0.438110 0.858823 0.446119 Se\n0.926769 0.211146 0.212663 Se\n0.929550 0.408091 0.069987 Se\n0.910449 0.171850 0.558626 Se\n0.271125 0.423692 0.054316 Se\n0.580652 0.385660 0.039103 Se\n0.426774 0.288873 0.787338 Se\n0.420224 0.487930 0.274173 Se\n0.426925 0.012935 0.311070 Se\n0.419348 0.614340 0.960897 Se\n0.789760 0.867653 0.443947 Se\n0.938114 0.641180 0.553894 Se\n0.767397 0.273280 0.807214 Se\n0.265186 0.457197 0.687544 Se\n0.732616 0.773273 0.807206 Se\n0.289760 0.632349 0.556051 Se\n0.765181 0.042798 0.312457 Se\n0.581575 0.206813 0.204772 Se\n",
            "nsites": 144,
            "nelements": 2,
            "elements": [
                "Cu",
                "Se"
            ],
            "chemical_system": "Cu-Se",
            "density": 6.684578204330031,
            "density_atomic": 0.058609677481822435,
            "volume": 2456.9321345380386,
            "volume_molar": 10.274993855524531,
            "formula_full": "Cu96 Se48",
            "formula_reduced": "Cu2Se",
            "formula_anonymous": "AB2",
            "energy": -588.06483225,
            "energy_per_atom": -4.0837835572916665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -565.40883225,
            "band_gap": 0.0518999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 5e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:47.995000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-548824",
            "created_at": "2022-09-04T14:46:55.363896Z",
            "structure_string": "Ba2 Tb2 O6\n1.0\n5.370686 -3.161856 0.000000\n5.370686 3.161856 0.000000\n3.509223 0.000000 5.150433\nBa Tb O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.250000 0.821752 0.678248 O\n0.678248 0.250000 0.821752 O\n0.821752 0.678248 0.250000 O\n0.750000 0.178248 0.321752 O\n0.321752 0.750000 0.178248 O\n0.178248 0.321752 0.750000 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ba",
                "Tb",
                "O"
            ],
            "chemical_system": "Ba-O-Tb",
            "density": 6.535941394736451,
            "density_atomic": 0.05716818621178053,
            "volume": 174.9224640948871,
            "volume_molar": 10.53407700865456,
            "formula_full": "Ba2 Tb2 O6",
            "formula_reduced": "BaTbO3",
            "formula_anonymous": "ABC3",
            "energy": -74.02091136,
            "energy_per_atom": -7.402091136,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -69.89891136,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9982508,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:49.930000Z",
            "spacegroup": 167
        },
        {
            "id": "mp-1185152",
            "created_at": "2022-09-04T14:46:55.386258Z",
            "structure_string": "La3 Tb1\n1.0\n-2.618651 2.618651 5.282662\n2.618651 -2.618651 5.282662\n2.618651 2.618651 -5.282662\nLa Tb\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Tb\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "La",
                "Tb"
            ],
            "chemical_system": "La-Tb",
            "density": 6.59680020153335,
            "density_atomic": 0.0276052657423318,
            "volume": 144.89989110541785,
            "volume_molar": 21.81518850863746,
            "formula_full": "La3 Tb1",
            "formula_reduced": "La3Tb",
            "formula_anonymous": "AB3",
            "energy": -19.31590592,
            "energy_per_atom": -4.82897648,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.31590592,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.075974,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:42.965000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-752762",
            "created_at": "2022-09-04T14:46:56.856770Z",
            "structure_string": "Li8 Mn4 F16\n1.0\n3.006816 0.000000 0.000000\n0.000000 9.180066 0.000000\n0.000000 0.000000 10.368278\nLi Mn F\n8 4 16\ndirect\n0.750000 0.073446 0.386568 Li\n0.750000 0.065941 0.884006 Li\n0.250000 0.434059 0.384006 Li\n0.250000 0.426554 0.886568 Li\n0.750000 0.573446 0.113432 Li\n0.750000 0.565941 0.615994 Li\n0.250000 0.934059 0.115994 Li\n0.250000 0.926554 0.613432 Li\n0.750000 0.250256 0.654126 Mn\n0.250000 0.249744 0.154126 Mn\n0.750000 0.750256 0.845874 Mn\n0.250000 0.749744 0.345874 Mn\n0.250000 0.030121 0.278339 F\n0.750000 0.096428 0.069727 F\n0.250000 0.128120 0.539271 F\n0.250000 0.214155 0.808750 F\n0.750000 0.285845 0.308750 F\n0.750000 0.371880 0.039271 F\n0.250000 0.403572 0.569727 F\n0.750000 0.469879 0.778339 F\n0.250000 0.530121 0.221661 F\n0.750000 0.596428 0.430273 F\n0.250000 0.628120 0.960729 F\n0.250000 0.714155 0.691250 F\n0.750000 0.785845 0.191250 F\n0.750000 0.871880 0.460729 F\n0.250000 0.903572 0.930273 F\n0.750000 0.969879 0.721661 F\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Li",
                "Mn",
                "F"
            ],
            "chemical_system": "F-Li-Mn",
            "density": 3.3609288820652576,
            "density_atomic": 0.0978360120767466,
            "volume": 286.19318598182076,
            "volume_molar": 6.155341609054941,
            "formula_full": "Li8 Mn4 F16",
            "formula_reduced": "Li2MnF4",
            "formula_anonymous": "AB2C4",
            "energy": -166.73143788,
            "energy_per_atom": -5.9546942099999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -152.66743788,
            "band_gap": 4.7007,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9998284,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:49.691000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-27752",
            "created_at": "2022-09-04T14:46:55.209860Z",
            "structure_string": "Na12 Ge4 S14\n1.0\n5.284068 4.592048 0.000000\n-5.284068 4.592048 0.000000\n0.000000 3.884278 14.738861\nNa Ge S\n12 4 14\ndirect\n0.968409 0.260980 0.426475 Na\n0.739020 0.031591 0.073525 Na\n0.031591 0.739020 0.573525 Na\n0.260980 0.968409 0.926475 Na\n0.508197 0.952619 0.638843 Na\n0.047381 0.491803 0.861157 Na\n0.421338 0.578662 0.250000 Na\n0.578662 0.421338 0.750000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.491803 0.047381 0.361157 Na\n0.952619 0.508197 0.138843 Na\n0.238055 0.075249 0.139873 Ge\n0.924751 0.761945 0.360127 Ge\n0.761945 0.924751 0.860127 Ge\n0.075249 0.238055 0.639873 Ge\n0.794987 0.308731 0.605764 S\n0.205013 0.691269 0.394236 S\n0.865661 0.740102 0.971409 S\n0.259898 0.134339 0.528591 S\n0.134339 0.259898 0.028591 S\n0.740102 0.865661 0.471409 S\n0.757283 0.507102 0.320151 S\n0.492898 0.242717 0.179849 S\n0.242717 0.492898 0.679849 S\n0.507102 0.757283 0.820151 S\n0.961564 0.038436 0.250000 S\n0.038436 0.961564 0.750000 S\n0.308731 0.794987 0.105764 S\n0.691269 0.205013 0.894236 S\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Na",
                "Ge",
                "S"
            ],
            "chemical_system": "Ge-Na-S",
            "density": 2.3571919578908482,
            "density_atomic": 0.04194232672890761,
            "volume": 715.2679009417785,
            "volume_molar": 14.35814660193709,
            "formula_full": "Na12 Ge4 S14",
            "formula_reduced": "Na6Ge2S7",
            "formula_anonymous": "A2B6C7",
            "energy": -126.97091873000002,
            "energy_per_atom": -4.232363957666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -119.92891873,
            "band_gap": 2.4264,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001849,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:46.983000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1204783",
            "created_at": "2022-09-04T14:46:55.212499Z",
            "structure_string": "Cs12 Sb4 S16\n1.0\n10.150372 0.000000 0.000000\n0.000000 10.241206 0.000000\n0.000000 0.000000 11.947654\nCs Sb S\n12 4 16\ndirect\n0.848397 0.913316 0.750000 Cs\n0.348397 0.586684 0.750000 Cs\n0.151603 0.086684 0.250000 Cs\n0.651603 0.413316 0.250000 Cs\n0.045758 0.294617 0.542422 Cs\n0.545758 0.205383 0.957578 Cs\n0.954242 0.705383 0.042422 Cs\n0.454242 0.794617 0.457578 Cs\n0.954242 0.705383 0.457578 Cs\n0.454242 0.794617 0.042422 Cs\n0.045758 0.294617 0.957578 Cs\n0.545758 0.205383 0.542422 Cs\n0.774942 0.480695 0.750000 Sb\n0.274942 0.019305 0.750000 Sb\n0.225058 0.519305 0.250000 Sb\n0.725058 0.980695 0.250000 Sb\n0.796153 0.250426 0.750000 S\n0.296153 0.249574 0.750000 S\n0.203847 0.749574 0.250000 S\n0.703847 0.750426 0.250000 S\n0.988668 0.575575 0.750000 S\n0.488668 0.924425 0.750000 S\n0.011332 0.424425 0.250000 S\n0.511332 0.075575 0.250000 S\n0.836927 0.044990 0.414805 S\n0.336927 0.455010 0.085195 S\n0.163073 0.955010 0.914805 S\n0.663073 0.544990 0.585195 S\n0.163073 0.955010 0.585195 S\n0.663073 0.544990 0.914805 S\n0.836927 0.044990 0.085195 S\n0.336927 0.455010 0.414805 S\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Cs",
                "Sb",
                "S"
            ],
            "chemical_system": "Cs-S-Sb",
            "density": 3.46945794513841,
            "density_atomic": 0.02576524522501859,
            "volume": 1241.9831335013778,
            "volume_molar": 23.3731164109099,
            "formula_full": "Cs12 Sb4 S16",
            "formula_reduced": "Cs3SbS4",
            "formula_anonymous": "AB3C4",
            "energy": -130.59384923,
            "energy_per_atom": -4.0810577884375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -122.54584923,
            "band_gap": 2.1305,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:49.021000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1182136",
            "created_at": "2022-09-04T14:46:55.213012Z",
            "structure_string": "Co2 P2 H28 N8 O14\n1.0\n7.551063 0.000000 0.000000\n0.000000 7.352594 0.000000\n0.000000 0.788454 11.894910\nCo P H N O\n2 2 28 8 14\ndirect\n0.673888 0.738361 0.886821 Co\n0.173888 0.261639 0.113179 Co\n0.643972 0.811638 0.068437 P\n0.143972 0.188362 0.931563 P\n0.826180 0.550152 0.499878 H\n0.326180 0.449848 0.500122 H\n0.190070 0.035763 0.685354 H\n0.690070 0.964237 0.314646 H\n0.925240 0.400447 0.876910 H\n0.425240 0.599553 0.123090 H\n0.111609 0.710810 0.096316 H\n0.611609 0.289190 0.903684 H\n0.052295 0.019354 0.923115 H\n0.552295 0.980646 0.076885 H\n0.062592 0.590754 0.989658 H\n0.562592 0.409246 0.010342 H\n0.447784 0.825394 0.852747 H\n0.947784 0.174606 0.147253 H\n0.431491 0.143357 0.236439 H\n0.931491 0.856643 0.763561 H\n0.483047 0.796530 0.794418 H\n0.983047 0.203470 0.205582 H\n0.656747 0.839535 0.496354 H\n0.156747 0.160465 0.503646 H\n0.384641 0.249005 0.767251 H\n0.884641 0.750995 0.232749 H\n0.741522 0.948292 0.714592 H\n0.241522 0.051708 0.285408 H\n0.478117 0.727824 0.509305 H\n0.978117 0.272176 0.490695 H\n0.760186 0.417391 0.415231 H\n0.260186 0.582609 0.584769 H\n0.172928 0.896148 0.705632 N\n0.672928 0.103852 0.294368 N\n0.166864 0.644099 0.031999 N\n0.666864 0.355901 0.968001 N\n0.501869 0.194574 0.626050 N\n0.001869 0.805426 0.373950 N\n0.797831 0.868651 0.778731 N\n0.297831 0.131349 0.221269 N\n0.831455 0.834078 0.112773 O\n0.331455 0.165922 0.887227 O\n0.767820 0.503843 0.916936 O\n0.267820 0.496157 0.083064 O\n0.881795 0.700583 0.314866 O\n0.381795 0.299417 0.685134 O\n0.536602 0.669642 0.148118 O\n0.036602 0.330358 0.851882 O\n0.545308 0.831623 0.536903 O\n0.045308 0.168377 0.463097 O\n0.982089 0.778150 0.473200 O\n0.482089 0.221850 0.526800 O\n0.790859 0.423081 0.494385 O\n0.290859 0.576919 0.505615 O\n",
            "nsites": 54,
            "nelements": 5,
            "elements": [
                "Co",
                "P",
                "H",
                "N",
                "O"
            ],
            "chemical_system": "Co-H-N-O-P",
            "density": 1.3680537609495593,
            "density_atomic": 0.08176810260369355,
            "volume": 660.404219744739,
            "volume_molar": 7.3649021662977585,
            "formula_full": "Co2 P2 H28 N8 O14",
            "formula_reduced": "CoPH14N4O7",
            "formula_anonymous": "ABC4D7E14",
            "energy": -284.70092495,
            "energy_per_atom": -5.2722393509259255,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -268.91892495,
            "band_gap": 0.6338000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 7.9999999,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:48.714000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-7105",
            "created_at": "2022-09-04T14:46:55.217107Z",
            "structure_string": "Nd2 Si4\n1.0\n0.000000 3.865149 3.865149\n3.865149 0.000000 3.865149\n3.865149 3.865149 0.000000\nNd Si\n2 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Nd\n0.625000 0.625000 0.625000 Si\n0.125000 0.625000 0.625000 Si\n0.625000 0.125000 0.625000 Si\n0.625000 0.625000 0.125000 Si\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Nd",
                "Si"
            ],
            "chemical_system": "Nd-Si",
            "density": 5.76336686288582,
            "density_atomic": 0.05195442388240131,
            "volume": 115.48583453799782,
            "volume_molar": 11.591199189564874,
            "formula_full": "Nd2 Si4",
            "formula_reduced": "NdSi2",
            "formula_anonymous": "AB2",
            "energy": -32.70172551,
            "energy_per_atom": -5.450287585000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.98572551,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004996,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:49.120000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-20356",
            "created_at": "2022-09-04T14:46:55.221985Z",
            "structure_string": "Ce2 Sb1 O2\n1.0\n-1.997519 1.997519 6.419982\n1.997519 -1.997519 6.419982\n1.997519 1.997519 -6.419982\nCe Sb O\n2 1 2\ndirect\n0.655173 0.655173 0.000000 Ce\n0.344827 0.344827 0.000000 Ce\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Ce",
                "Sb",
                "O"
            ],
            "chemical_system": "Ce-O-Sb",
            "density": 7.033216414898109,
            "density_atomic": 0.04879713954846043,
            "volume": 102.46502246375529,
            "volume_molar": 12.341175765065929,
            "formula_full": "Ce2 Sb1 O2",
            "formula_reduced": "Ce2SbO2",
            "formula_anonymous": "AB2C2",
            "energy": -40.772415730000006,
            "energy_per_atom": -8.154483146,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.20641573,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0002777,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:50.690000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-13946",
            "created_at": "2022-09-04T14:46:55.227808Z",
            "structure_string": "Rb2 Zr1 F6\n1.0\n3.135172 -5.430277 0.000000\n3.135172 5.430277 0.000000\n0.000000 0.000000 4.924234\nRb Zr F\n2 1 6\ndirect\n0.333333 0.666667 0.688368 Rb\n0.666667 0.333333 0.311632 Rb\n0.000000 0.000000 0.000000 Zr\n0.842478 0.157522 0.772050 F\n0.842478 0.684957 0.772050 F\n0.315043 0.157522 0.772050 F\n0.157522 0.842478 0.227950 F\n0.157522 0.315043 0.227950 F\n0.684957 0.842478 0.227950 F\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Rb",
                "Zr",
                "F"
            ],
            "chemical_system": "F-Rb-Zr",
            "density": 3.725273406943464,
            "density_atomic": 0.05367727693702574,
            "volume": 167.66871409216256,
            "volume_molar": 11.21916219234665,
            "formula_full": "Rb2 Zr1 F6",
            "formula_reduced": "Rb2ZrF6",
            "formula_anonymous": "AB2C6",
            "energy": -54.92839533,
            "energy_per_atom": -6.103155036666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -52.15639533000001,
            "band_gap": 6.6418,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001085,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:44.765000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-672348",
            "created_at": "2022-09-04T14:46:54.325063Z",
            "structure_string": "K3 Au3 C6 N6\n1.0\n8.864081 -3.790698 0.000000\n8.864081 3.790698 0.000000\n7.243000 0.000000 6.362410\nK Au C N\n3 3 6 6\ndirect\n0.000000 0.000000 0.000000 K\n0.656059 0.656059 0.656059 K\n0.343941 0.343941 0.343941 K\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.979526 0.566155 0.170187 C\n0.170187 0.979526 0.566155 C\n0.566155 0.170187 0.979526 C\n0.020474 0.433845 0.829813 C\n0.829813 0.020474 0.433845 C\n0.433845 0.829813 0.020474 C\n0.967149 0.604781 0.271195 N\n0.271195 0.967149 0.604781 N\n0.604781 0.271195 0.967149 N\n0.032851 0.395219 0.728805 N\n0.728805 0.032851 0.395219 N\n0.395219 0.728805 0.032851 N\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "K",
                "Au",
                "C",
                "N"
            ],
            "chemical_system": "Au-C-K-N",
            "density": 3.3566693397518024,
            "density_atomic": 0.042098629254059834,
            "volume": 427.5673654686547,
            "volume_molar": 14.3048381068589,
            "formula_full": "K3 Au3 C6 N6",
            "formula_reduced": "KAu(CN)2",
            "formula_anonymous": "ABC2D2",
            "energy": -122.35333204999998,
            "energy_per_atom": -6.79740733611111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -120.18733205,
            "band_gap": 2.9528,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0023545,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:37.669000Z",
            "spacegroup": 148
        }
    ]
}