GET /third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10214
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=10215",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10213",
    "results": [
        {
            "id": "mp-1221119",
            "created_at": "2022-09-04T14:40:56.922507Z",
            "structure_string": "Na1 Ca3 Mg3 Fe1 Si8 O24\n1.0\n8.992895 0.000000 0.000000\n0.000000 5.319744 0.000000\n0.000000 2.547291 9.450660\nNa Ca Mg Fe Si O\n1 3 3 1 8 24\ndirect\n0.302894 0.000000 0.000000 Na\n0.797995 0.500000 0.500000 Ca\n0.201564 0.000000 0.500000 Ca\n0.695972 0.500000 0.000000 Ca\n0.408205 0.500000 0.500000 Mg\n0.906209 0.000000 0.000000 Mg\n0.591212 0.000000 0.500000 Mg\n0.102466 0.500000 0.000000 Fe\n0.093858 0.692515 0.285813 Si\n0.590971 0.192403 0.787613 Si\n0.093858 0.307485 0.714187 Si\n0.590971 0.807597 0.212387 Si\n0.907789 0.806022 0.713133 Si\n0.407478 0.306620 0.212051 Si\n0.907789 0.193978 0.286867 Si\n0.407478 0.693380 0.787949 Si\n0.016951 0.396471 0.351364 O\n0.517353 0.895119 0.850052 O\n0.016951 0.603529 0.648636 O\n0.517353 0.104881 0.149948 O\n0.983687 0.101785 0.651103 O\n0.485128 0.599010 0.149558 O\n0.983687 0.898215 0.348897 O\n0.485128 0.400990 0.850442 O\n0.082994 0.767982 0.114340 O\n0.587048 0.276193 0.615733 O\n0.082994 0.232018 0.885660 O\n0.587048 0.723807 0.384267 O\n0.916924 0.719823 0.885582 O\n0.410735 0.222991 0.383607 O\n0.916924 0.280177 0.114418 O\n0.410735 0.777009 0.616393 O\n0.249414 0.707441 0.361982 O\n0.749357 0.205752 0.862004 O\n0.249414 0.292559 0.638018 O\n0.749357 0.794248 0.137996 O\n0.750590 0.792906 0.638751 O\n0.246466 0.300139 0.138484 O\n0.750590 0.207094 0.361249 O\n0.246466 0.699861 0.861516 O\n",
            "nsites": 40,
            "nelements": 6,
            "elements": [
                "Na",
                "Ca",
                "Mg",
                "Fe",
                "Si",
                "O"
            ],
            "chemical_system": "Ca-Fe-Mg-Na-O-Si",
            "density": 3.234459393663135,
            "density_atomic": 0.08847235671760381,
            "volume": 452.1186219519005,
            "volume_molar": 6.806804954028927,
            "formula_full": "Na1 Ca3 Mg3 Fe1 Si8 O24",
            "formula_reduced": "NaCa3Mg3Fe(SiO3)8",
            "formula_anonymous": "ABC3D3E8F24",
            "energy": -310.45471294000004,
            "energy_per_atom": -7.7613678235000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -291.71071294,
            "band_gap": 2.9691000000000005,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 5.00586,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:23.328000Z",
            "spacegroup": 3
        },
        {
            "id": "mp-1181459",
            "created_at": "2022-09-04T14:40:56.929093Z",
            "structure_string": "H48 S8 N16\n1.0\n6.768872 0.000000 -1.828329\n0.000000 8.455808 0.000000\n-0.868533 0.000000 13.907652\nH S N\n48 8 16\ndirect\n0.709932 0.206842 0.472117 H\n0.830880 0.901724 0.684697 H\n0.273561 0.354008 0.595760 H\n0.651950 0.145064 0.643396 H\n0.967314 0.408768 0.159664 H\n0.166801 0.351204 0.034086 H\n0.059977 0.103205 0.187855 H\n0.461609 0.550837 0.682782 H\n0.032686 0.591232 0.840336 H\n0.538391 0.449163 0.317218 H\n0.833199 0.648796 0.965914 H\n0.833199 0.851204 0.465914 H\n0.508416 0.918550 0.559714 H\n0.200117 0.458450 0.242770 H\n0.491168 0.761379 0.996238 H\n0.491584 0.081450 0.440286 H\n0.942671 0.185729 0.262617 H\n0.651950 0.354936 0.143396 H\n0.290068 0.793158 0.527883 H\n0.726439 0.854008 0.904240 H\n0.726439 0.645992 0.404240 H\n0.290068 0.706842 0.027883 H\n0.166801 0.148796 0.534086 H\n0.059977 0.396795 0.687855 H\n0.169120 0.098276 0.315303 H\n0.348050 0.854936 0.356604 H\n0.057329 0.814271 0.737383 H\n0.508832 0.238621 0.003762 H\n0.940023 0.603205 0.312145 H\n0.348050 0.645064 0.856604 H\n0.940023 0.896795 0.812145 H\n0.799883 0.958450 0.257230 H\n0.032686 0.908768 0.340336 H\n0.169120 0.401724 0.815303 H\n0.967314 0.091232 0.659664 H\n0.491584 0.418550 0.940286 H\n0.491168 0.738621 0.496238 H\n0.799883 0.541550 0.757230 H\n0.942671 0.314271 0.762617 H\n0.830880 0.598276 0.184697 H\n0.709932 0.293158 0.972117 H\n0.538391 0.050837 0.817218 H\n0.273561 0.145992 0.095760 H\n0.508416 0.581450 0.059714 H\n0.508832 0.261379 0.503762 H\n0.200117 0.041550 0.742770 H\n0.057329 0.685729 0.237383 H\n0.461609 0.949163 0.182782 H\n0.501763 0.604592 0.296667 S\n0.909677 0.704170 0.488557 S\n0.501763 0.895408 0.796667 S\n0.498237 0.104592 0.203333 S\n0.909677 0.795830 0.988557 S\n0.498237 0.395408 0.703333 S\n0.090323 0.204170 0.011443 S\n0.090323 0.295830 0.511443 S\n0.593090 0.164866 0.495225 N\n0.966988 0.592135 0.243794 N\n0.033012 0.092135 0.256206 N\n0.337463 0.929820 0.412308 N\n0.662537 0.429820 0.087692 N\n0.406910 0.835134 0.504775 N\n0.662537 0.070180 0.587692 N\n0.593090 0.335134 0.995225 N\n0.050194 0.061323 0.734010 N\n0.966988 0.907865 0.743794 N\n0.949806 0.938677 0.265990 N\n0.949806 0.561323 0.765990 N\n0.406910 0.664866 0.004775 N\n0.337463 0.570180 0.912308 N\n0.033012 0.407865 0.756206 N\n0.050194 0.438677 0.234010 N\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "H",
                "S",
                "N"
            ],
            "chemical_system": "H-N-S",
            "density": 1.1224697795270762,
            "density_atomic": 0.09200163675527516,
            "volume": 782.594772650843,
            "volume_molar": 6.545688720754965,
            "formula_full": "H48 S8 N16",
            "formula_reduced": "H6SN2",
            "formula_anonymous": "AB2C6",
            "energy": -342.79248195,
            "energy_per_atom": -4.761006693750001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -332.99248195,
            "band_gap": 2.5181,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009308,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:58.631000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-28996",
            "created_at": "2022-09-04T14:40:56.933710Z",
            "structure_string": "Ag16 Bi8 O20\n1.0\n5.980937 0.000000 0.000000\n0.000000 8.770160 0.000000\n0.000000 0.000000 14.604889\nAg Bi O\n16 8 20\ndirect\n0.990628 0.639577 0.081548 Ag\n0.490628 0.860423 0.418452 Ag\n0.009372 0.639577 0.418452 Ag\n0.509372 0.860423 0.081548 Ag\n0.990628 0.360423 0.581548 Ag\n0.009372 0.360423 0.918452 Ag\n0.500000 0.932842 0.750000 Ag\n0.000000 0.567158 0.750000 Ag\n0.500000 0.067158 0.250000 Ag\n0.000000 0.432842 0.250000 Ag\n0.250000 0.750000 0.247728 Ag\n0.750000 0.750000 0.252272 Ag\n0.750000 0.250000 0.752272 Ag\n0.250000 0.250000 0.747728 Ag\n0.509372 0.139577 0.581548 Ag\n0.490628 0.139577 0.918452 Ag\n0.509928 0.583781 0.611228 Bi\n0.009928 0.916219 0.888772 Bi\n0.490072 0.583781 0.888772 Bi\n0.990072 0.916219 0.611228 Bi\n0.490072 0.416219 0.388772 Bi\n0.990072 0.083781 0.111228 Bi\n0.509928 0.416219 0.111228 Bi\n0.009928 0.083781 0.388772 Bi\n0.630461 0.912966 0.615701 O\n0.130461 0.587034 0.884299 O\n0.369539 0.912966 0.884299 O\n0.869539 0.587034 0.615701 O\n0.369539 0.087034 0.384299 O\n0.869539 0.412966 0.115701 O\n0.630461 0.087034 0.115701 O\n0.130461 0.412966 0.384299 O\n0.456314 0.630130 0.042739 O\n0.956314 0.869870 0.457261 O\n0.456314 0.369870 0.542739 O\n0.956314 0.130130 0.957261 O\n0.543686 0.369870 0.957261 O\n0.043686 0.130130 0.542739 O\n0.500000 0.563420 0.250000 O\n0.000000 0.936580 0.250000 O\n0.500000 0.436580 0.750000 O\n0.043686 0.869870 0.042739 O\n0.000000 0.063420 0.750000 O\n0.543686 0.630130 0.457261 O\n",
            "nsites": 44,
            "nelements": 3,
            "elements": [
                "Ag",
                "Bi",
                "O"
            ],
            "chemical_system": "Ag-Bi-O",
            "density": 8.05844137242436,
            "density_atomic": 0.057435138346520385,
            "volume": 766.0815533260688,
            "volume_molar": 10.485115790384164,
            "formula_full": "Ag16 Bi8 O20",
            "formula_reduced": "Ag4Bi2O5",
            "formula_anonymous": "A2B4C5",
            "energy": -215.32952867,
            "energy_per_atom": -4.893852924318182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -201.58952867,
            "band_gap": 1.5515999999999996,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.004528,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:58.980000Z",
            "spacegroup": 52
        },
        {
            "id": "mp-1365424",
            "created_at": "2022-09-04T14:40:56.934304Z",
            "structure_string": "Mg4 Mo8 O16\n1.0\n3.117605 0.000000 0.000000\n0.000000 10.319863 0.000000\n0.000000 0.000000 10.379589\nMg Mo O\n4 8 16\ndirect\n0.761557 0.750000 0.857682 Mg\n0.761557 0.250000 0.642318 Mg\n0.238443 0.750000 0.357682 Mg\n0.238443 0.250000 0.142318 Mg\n0.252722 0.573546 0.617909 Mo\n0.252722 0.073546 0.882091 Mo\n0.747278 0.073546 0.382091 Mo\n0.252722 0.426454 0.882091 Mo\n0.747278 0.426454 0.382091 Mo\n0.252722 0.926454 0.617909 Mo\n0.747278 0.926454 0.117909 Mo\n0.747278 0.573546 0.117909 Mo\n0.753088 0.884230 0.478974 O\n0.246912 0.115770 0.521026 O\n0.753111 0.000000 0.750000 O\n0.246912 0.884230 0.978974 O\n0.246912 0.615770 0.978974 O\n0.259023 0.250000 0.772409 O\n0.753088 0.115770 0.021026 O\n0.740977 0.250000 0.272409 O\n0.753111 0.500000 0.750000 O\n0.246889 0.000000 0.250000 O\n0.753088 0.615770 0.478974 O\n0.740977 0.750000 0.227591 O\n0.259023 0.750000 0.727591 O\n0.246889 0.500000 0.250000 O\n0.753088 0.384230 0.021026 O\n0.246912 0.384230 0.521026 O\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Mg",
                "Mo",
                "O"
            ],
            "chemical_system": "Mg-Mo-O",
            "density": 5.572820716049281,
            "density_atomic": 0.08384609735123931,
            "volume": 333.9451791382171,
            "volume_molar": 7.182374553191996,
            "formula_full": "Mg4 Mo8 O16",
            "formula_reduced": "Mg(MoO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -223.2130358,
            "energy_per_atom": -7.971894135714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -186.6050358,
            "band_gap": 0.5952999999999999,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 8.0567335,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:58.854000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-1234315",
            "created_at": "2022-09-04T14:40:56.936955Z",
            "structure_string": "Mg1 V5 Mo5 O25\n1.0\n17.735727 -0.344566 -6.963632\n3.561043 3.953587 -1.354912\n0.750585 0.020912 6.393472\nMg V Mo O\n1 5 5 25\ndirect\n0.172912 0.617074 0.283719 Mg\n0.029531 0.180785 0.608413 V\n0.227714 0.190855 0.619706 V\n0.414277 0.908833 0.986320 V\n0.597907 0.965991 0.978812 V\n0.780432 0.046198 0.982240 V\n0.974396 0.100259 0.007966 Mo\n0.182662 0.082779 0.011707 Mo\n0.428929 0.125021 0.579205 Mo\n0.635896 0.110771 0.578676 Mo\n0.836015 0.123930 0.578601 Mo\n0.030389 0.061410 0.298168 O\n0.051771 0.166828 0.920542 O\n0.146509 0.123271 0.676974 O\n0.084761 0.610399 0.009357 O\n0.224363 0.163530 0.314425 O\n0.154880 0.613899 0.608497 O\n0.283221 0.053730 0.933582 O\n0.363582 0.013343 0.664770 O\n0.231313 0.694848 0.101723 O\n0.418636 0.044607 0.291943 O\n0.334431 0.555547 0.569716 O\n0.476279 0.045841 0.915313 O\n0.548408 0.062812 0.648939 O\n0.494415 0.497502 0.003197 O\n0.622795 0.022250 0.296566 O\n0.551204 0.544611 0.576274 O\n0.674519 0.049211 0.911174 O\n0.754559 0.041302 0.642755 O\n0.681859 0.541975 0.977724 O\n0.812098 0.090177 0.296815 O\n0.744444 0.559269 0.605631 O\n0.882484 0.037492 0.927351 O\n0.945902 0.092856 0.650300 O\n0.875578 0.550906 0.011946 O\n0.941258 0.595130 0.573045 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "Mg",
                "V",
                "Mo",
                "O"
            ],
            "chemical_system": "Mg-Mo-O-V",
            "density": 4.032385253447618,
            "density_atomic": 0.07544758642486603,
            "volume": 477.1524405999436,
            "volume_molar": 7.981886559084442,
            "formula_full": "Mg1 V5 Mo5 O25",
            "formula_reduced": "MgV5(MoO5)5",
            "formula_anonymous": "AB5C5D25",
            "energy": -302.66523924,
            "energy_per_atom": -8.407367756666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -260.98023924,
            "band_gap": 0.9594,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.0000001,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:01.517000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1206264",
            "created_at": "2022-09-04T14:40:56.937821Z",
            "structure_string": "Sm2 Ni2 Sb2\n1.0\n-2.185717 -3.785773 0.000000\n-2.185717 3.785773 0.000000\n0.000000 0.000000 -8.066641\nSm Ni Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Sm",
                "Ni",
                "Sb"
            ],
            "chemical_system": "Ni-Sb-Sm",
            "density": 8.229831837909959,
            "density_atomic": 0.044944859346221076,
            "volume": 133.49691349083005,
            "volume_molar": 13.398953401122025,
            "formula_full": "Sm2 Ni2 Sb2",
            "formula_reduced": "SmNiSb",
            "formula_anonymous": "ABC",
            "energy": -34.59385042,
            "energy_per_atom": -5.765641736666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.20985042,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004907,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:00.504000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1177839",
            "created_at": "2022-09-04T14:40:58.455218Z",
            "structure_string": "Li8 Ti4 Fe4 O16\n1.0\n0.008886 3.344115 -4.750917\n-5.810722 -1.987414 -4.939940\n-5.751036 5.381612 0.246076\nLi Ti Fe O\n8 4 4 16\ndirect\n0.123353 0.875206 0.375665 Li\n0.377188 0.124900 0.625402 Li\n0.626346 0.376160 0.873579 Li\n0.873146 0.625125 0.123856 Li\n0.499777 0.500685 0.501447 Li\n0.749556 0.749340 0.750226 Li\n0.002079 0.998267 0.999263 Li\n0.248824 0.250052 0.250803 Li\n0.499886 0.001057 0.000063 Ti\n0.751190 0.250465 0.249071 Ti\n0.000705 0.500603 0.498834 Ti\n0.250748 0.750691 0.749429 Ti\n0.127343 0.371967 0.877022 Fe\n0.371069 0.622221 0.128527 Fe\n0.623262 0.878476 0.370956 Fe\n0.878216 0.125562 0.625146 Fe\n0.255563 0.966382 0.531961 O\n0.505663 0.212828 0.782354 O\n0.750298 0.463520 0.035871 O\n0.987917 0.719983 0.286727 O\n0.496660 0.780184 0.212065 O\n0.748994 0.038412 0.466837 O\n0.003007 0.285248 0.717908 O\n0.250348 0.532682 0.966999 O\n0.126341 0.124501 0.125138 O\n0.371871 0.376505 0.374641 O\n0.624019 0.624230 0.626140 O\n0.877020 0.874911 0.874636 O\n0.373460 0.874916 0.874227 O\n0.623654 0.123914 0.125291 O\n0.876793 0.375264 0.375432 O\n0.125705 0.625748 0.624483 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Ti",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Li-O-Ti",
            "density": 3.9822132358510376,
            "density_atomic": 0.10565003513782577,
            "volume": 302.88678994052765,
            "volume_molar": 5.70008401052003,
            "formula_full": "Li8 Ti4 Fe4 O16",
            "formula_reduced": "Li2TiFeO4",
            "formula_anonymous": "ABC2D4",
            "energy": -241.59288941,
            "energy_per_atom": -7.5497777940625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -221.57688941,
            "band_gap": 0.8816000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0015135,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:13.810000Z",
            "spacegroup": 119
        },
        {
            "id": "mp-675833",
            "created_at": "2022-09-04T14:40:58.457603Z",
            "structure_string": "Mg2 Mo12 Se16\n1.0\n6.837727 0.000000 0.000000\n-0.534657 6.834920 0.000000\n-1.033454 -0.270603 13.620573\nMg Mo Se\n2 12 16\ndirect\n0.116669 0.916753 0.748418 Mg\n0.883331 0.083247 0.251582 Mg\n0.230744 0.411233 0.521464 Mo\n0.236191 0.413260 0.023393 Mo\n0.412955 0.551600 0.368422 Mo\n0.456340 0.765885 0.540572 Mo\n0.417229 0.552074 0.867065 Mo\n0.457048 0.766465 0.039854 Mo\n0.543660 0.234115 0.459428 Mo\n0.587045 0.448400 0.631578 Mo\n0.542952 0.233535 0.960146 Mo\n0.582771 0.447926 0.132935 Mo\n0.769256 0.588767 0.478536 Mo\n0.763809 0.586740 0.976607 Mo\n0.131661 0.733999 0.435061 Se\n0.128614 0.738428 0.933575 Se\n0.268604 0.609136 0.681704 Se\n0.211352 0.215629 0.358894 Se\n0.271673 0.619425 0.182564 Se\n0.207921 0.226903 0.858198 Se\n0.370521 0.119853 0.618492 Se\n0.374938 0.118858 0.118267 Se\n0.629479 0.880147 0.381508 Se\n0.625062 0.881142 0.881733 Se\n0.788648 0.784371 0.641106 Se\n0.731396 0.390864 0.318296 Se\n0.792079 0.773097 0.141802 Se\n0.728327 0.380575 0.817436 Se\n0.868339 0.266001 0.564939 Se\n0.871386 0.261572 0.066425 Se\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Mg",
                "Mo",
                "Se"
            ],
            "chemical_system": "Mg-Mo-Se",
            "density": 6.425649282635237,
            "density_atomic": 0.0471281816313346,
            "volume": 636.5617972422172,
            "volume_molar": 12.778215818104039,
            "formula_full": "Mg2 Mo12 Se16",
            "formula_reduced": "Mg(Mo3Se4)2",
            "formula_anonymous": "AB6C8",
            "energy": -214.33656645,
            "energy_per_atom": -7.144552215,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -206.78456645,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0110909,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:12.603000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1032629",
            "created_at": "2022-09-04T14:40:58.460223Z",
            "structure_string": "Cs1 Y1 Mg6 O8\n1.0\n9.081948 0.000000 0.000000\n0.000000 4.775915 0.000000\n0.000000 0.000000 4.775915\nCs Y Mg O\n1 1 6 8\ndirect\n-0.000000 0.500000 0.500000 Cs\n-0.000000 0.000000 -0.000000 Y\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.275191 0.000000 0.500000 Mg\n0.724809 0.000000 0.500000 Mg\n0.275191 0.500000 0.000000 Mg\n0.724809 0.500000 -0.000000 Mg\n0.260502 0.000000 0.000000 O\n0.739498 0.000000 -0.000000 O\n0.290558 0.500000 0.500000 O\n0.709442 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Cs",
                "Y",
                "Mg",
                "O"
            ],
            "chemical_system": "Cs-Mg-O-Y",
            "density": 3.9730148846458775,
            "density_atomic": 0.07723742635891111,
            "volume": 207.15345855324495,
            "volume_molar": 7.796920539552919,
            "formula_full": "Cs1 Y1 Mg6 O8",
            "formula_reduced": "CsYMg6O8",
            "formula_anonymous": "ABC6D8",
            "energy": -95.77200033,
            "energy_per_atom": -5.985750020625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -90.27600033,
            "band_gap": 2.7597000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.5e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.722000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1218726",
            "created_at": "2022-09-04T14:40:58.460917Z",
            "structure_string": "Sr2 Nd1 Cu3 Pb2 O8\n1.0\n3.872960 0.000000 0.000000\n0.026159 3.894206 0.000000\n0.078298 0.206754 16.047420\nSr Nd Cu Pb O\n2 1 3 2 8\ndirect\n0.000798 0.005191 0.776789 Sr\n0.999202 0.994809 0.223211 Sr\n0.000000 0.000000 0.000000 Nd\n0.500312 0.500797 0.890308 Cu\n0.499688 0.499203 0.109692 Cu\n0.000000 0.000000 0.500000 Cu\n0.502036 0.493804 0.610855 Pb\n0.497964 0.506196 0.389145 Pb\n0.504052 0.502441 0.747069 O\n0.495948 0.497559 0.252931 O\n0.000067 0.500995 0.902843 O\n0.500480 0.999758 0.902571 O\n0.999933 0.499005 0.097157 O\n0.499520 0.000242 0.097429 O\n0.031376 0.091331 0.613694 O\n0.968624 0.908669 0.386306 O\n",
            "nsites": 16,
            "nelements": 5,
            "elements": [
                "Sr",
                "Nd",
                "Cu",
                "Pb",
                "O"
            ],
            "chemical_system": "Cu-Nd-O-Pb-Sr",
            "density": 7.221215761980032,
            "density_atomic": 0.0661078191243264,
            "volume": 242.028858491148,
            "volume_molar": 9.10957408634884,
            "formula_full": "Sr2 Nd1 Cu3 Pb2 O8",
            "formula_reduced": "Sr2NdCu3(PbO4)2",
            "formula_anonymous": "AB2C2D3E8",
            "energy": -100.11236693,
            "energy_per_atom": -6.257022933125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -94.61636693,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004249,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:23.148000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1183432",
            "created_at": "2022-09-04T14:40:58.469480Z",
            "structure_string": "Be1 Ni3\n1.0\n-1.730419 1.730419 3.351915\n1.730419 -1.730419 3.351915\n1.730419 1.730419 -3.351915\nBe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Be",
                "Ni"
            ],
            "chemical_system": "Be-Ni",
            "density": 7.6556505893710725,
            "density_atomic": 0.0996332857707821,
            "volume": 40.1472255888706,
            "volume_molar": 6.0443060904913155,
            "formula_full": "Be1 Ni3",
            "formula_reduced": "BeNi3",
            "formula_anonymous": "AB3",
            "energy": -21.7156073,
            "energy_per_atom": -5.428901825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.7156073,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9393574,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:11.888000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1210892",
            "created_at": "2022-09-04T14:40:58.471807Z",
            "structure_string": "Na2 Mg2 Al10 P8 H20 O48\n1.0\n2.541291 12.623471 0.000000\n-2.541291 12.623471 0.000000\n0.000000 4.867710 12.670886\nNa Mg Al P H O\n2 2 10 8 20 48\ndirect\n0.866269 0.133731 0.250000 Na\n0.133731 0.866269 0.750000 Na\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.639366 0.077660 0.353694 Al\n0.360634 0.922340 0.646306 Al\n0.922340 0.360634 0.146306 Al\n0.077660 0.639366 0.853694 Al\n0.826012 0.869930 0.110969 Al\n0.173988 0.130070 0.889031 Al\n0.130070 0.173989 0.389031 Al\n0.869930 0.826012 0.610969 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.363533 0.797940 0.102441 P\n0.636467 0.202060 0.897559 P\n0.202060 0.636467 0.397559 P\n0.797940 0.363533 0.602441 P\n0.483984 0.946808 0.172612 P\n0.516016 0.053192 0.827388 P\n0.053192 0.516016 0.327388 P\n0.946808 0.483984 0.672612 P\n0.430549 0.278713 0.198524 H\n0.569451 0.721287 0.801476 H\n0.721287 0.569451 0.301476 H\n0.278713 0.430549 0.698524 H\n0.541703 0.446380 0.099553 H\n0.458297 0.553620 0.900447 H\n0.553620 0.458297 0.400447 H\n0.446380 0.541703 0.599553 H\n0.658600 0.209960 0.146951 H\n0.341400 0.790040 0.853049 H\n0.790040 0.341400 0.353049 H\n0.209960 0.658600 0.646951 H\n0.182296 0.666763 0.114170 H\n0.817704 0.333237 0.885830 H\n0.333237 0.817704 0.385830 H\n0.666763 0.182296 0.614170 H\n0.549635 0.771478 0.468496 H\n0.450365 0.228522 0.531504 H\n0.228522 0.450365 0.031504 H\n0.771478 0.549635 0.968496 H\n0.257531 0.782971 0.097500 O\n0.742469 0.217029 0.902500 O\n0.217029 0.742469 0.402500 O\n0.782971 0.257531 0.597500 O\n0.700489 0.693892 0.117808 O\n0.299511 0.306108 0.882192 O\n0.306108 0.299511 0.382192 O\n0.693892 0.700489 0.617808 O\n0.585854 0.162901 0.009977 O\n0.414146 0.837099 0.990023 O\n0.837099 0.414146 0.490023 O\n0.162901 0.585854 0.509977 O\n0.798517 0.051567 0.562004 O\n0.201483 0.948433 0.437996 O\n0.948433 0.201483 0.937996 O\n0.051567 0.798517 0.062004 O\n0.432124 0.915940 0.289225 O\n0.567876 0.084060 0.710775 O\n0.084060 0.567876 0.210775 O\n0.915940 0.432124 0.789225 O\n0.621376 0.119708 0.206853 O\n0.378624 0.880292 0.793147 O\n0.880292 0.378624 0.293147 O\n0.119708 0.621376 0.706853 O\n0.466306 0.371638 0.342784 O\n0.533694 0.628362 0.657216 O\n0.628362 0.533694 0.157216 O\n0.371638 0.466306 0.842784 O\n0.707041 0.248515 0.107040 O\n0.292959 0.751485 0.892960 O\n0.751485 0.292959 0.392960 O\n0.248515 0.707041 0.607040 O\n0.216736 0.199642 0.118533 O\n0.783264 0.800358 0.881467 O\n0.800358 0.783264 0.381467 O\n0.199642 0.216736 0.618533 O\n0.618275 0.041849 0.511941 O\n0.381725 0.958151 0.488059 O\n0.958151 0.381725 0.988059 O\n0.041849 0.618275 0.011941 O\n0.585124 0.968512 0.161288 O\n0.414876 0.031488 0.838712 O\n0.031488 0.414876 0.338712 O\n0.968512 0.585124 0.661288 O\n0.149226 0.034089 0.168959 O\n0.850774 0.965911 0.831041 O\n0.965911 0.850774 0.331041 O\n0.034089 0.149226 0.668959 O\n",
            "nsites": 90,
            "nelements": 6,
            "elements": [
                "Na",
                "Mg",
                "Al",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Al-H-Mg-Na-O-P",
            "density": 2.860274944971568,
            "density_atomic": 0.11070630229106244,
            "volume": 812.9618471347488,
            "volume_molar": 5.4397451955056235,
            "formula_full": "Na2 Mg2 Al10 P8 H20 O48",
            "formula_reduced": "NaMgAl5P4(H5O12)2",
            "formula_anonymous": "ABC4D5E10F24",
            "energy": -617.25514859,
            "energy_per_atom": -6.858390539888888,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -584.27914859,
            "band_gap": 5.45,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0033084,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:21.812000Z",
            "spacegroup": 15
        }
    ]
}