GET /third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=11478
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=-decomposes_to&page=11479",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=11477",
    "results": [
        {
            "id": "mp-1339",
            "created_at": "2022-09-04T14:45:59.952385Z",
            "structure_string": "Nb1 Ir3\n1.0\n3.931438 0.000000 0.000000\n0.000000 3.931438 0.000000\n0.000000 0.000000 3.931438\nNb Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Nb",
                "Ir"
            ],
            "chemical_system": "Ir-Nb",
            "density": 18.297114484803764,
            "density_atomic": 0.06582724782596029,
            "volume": 60.76511068145432,
            "volume_molar": 9.148401245517435,
            "formula_full": "Nb1 Ir3",
            "formula_reduced": "NbIr3",
            "formula_anonymous": "AB3",
            "energy": -39.03252513,
            "energy_per_atom": -9.7581312825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -39.03252513,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004495,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:19.415000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-21618",
            "created_at": "2022-09-04T14:45:59.949666Z",
            "structure_string": "Nd4 Al12 Pb8 O32\n1.0\n9.632693 0.000000 0.000000\n0.000000 9.632693 0.000000\n0.000000 0.000000 9.632693\nNd Al Pb O\n4 12 8 32\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.750000 Nd\n0.750000 0.250000 0.250000 Nd\n0.250000 0.750000 0.250000 Nd\n0.500000 0.000000 0.250000 Al\n0.500000 0.250000 0.000000 Al\n0.500000 0.750000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.000000 0.500000 0.250000 Al\n0.250000 0.500000 0.000000 Al\n0.250000 0.000000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.750000 0.000000 0.500000 Al\n0.000000 0.750000 0.500000 Al\n0.750000 0.500000 0.000000 Al\n0.000000 0.250000 0.500000 Al\n0.867231 0.132769 0.867231 Pb\n0.867231 0.867231 0.132769 Pb\n0.132769 0.132769 0.132769 Pb\n0.367231 0.632769 0.632769 Pb\n0.132769 0.867231 0.867231 Pb\n0.632769 0.367231 0.632769 Pb\n0.367231 0.367231 0.367231 Pb\n0.632769 0.632769 0.367231 Pb\n0.843563 0.513659 0.843563 O\n0.986341 0.343563 0.343563 O\n0.156437 0.486341 0.843563 O\n0.843563 0.156437 0.486341 O\n0.343563 0.343563 0.986341 O\n0.343563 0.656437 0.013659 O\n0.609235 0.390765 0.390765 O\n0.390765 0.609235 0.390765 O\n0.109235 0.890765 0.109235 O\n0.890765 0.890765 0.890765 O\n0.843563 0.486341 0.156437 O\n0.656437 0.013659 0.343563 O\n0.109235 0.109235 0.890765 O\n0.890765 0.109235 0.109235 O\n0.609235 0.609235 0.609235 O\n0.156437 0.156437 0.513659 O\n0.656437 0.343563 0.013659 O\n0.986341 0.656437 0.656437 O\n0.656437 0.986341 0.656437 O\n0.486341 0.843563 0.156437 O\n0.513659 0.843563 0.843563 O\n0.156437 0.513659 0.156437 O\n0.343563 0.013659 0.656437 O\n0.843563 0.843563 0.513659 O\n0.343563 0.986341 0.343563 O\n0.156437 0.843563 0.486341 O\n0.656437 0.656437 0.986341 O\n0.390765 0.390765 0.609235 O\n0.513659 0.156437 0.156437 O\n0.013659 0.656437 0.343563 O\n0.013659 0.343563 0.656437 O\n0.486341 0.156437 0.843563 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Nd",
                "Al",
                "Pb",
                "O"
            ],
            "chemical_system": "Al-Nd-O-Pb",
            "density": 5.704145680812399,
            "density_atomic": 0.06265343252569672,
            "volume": 893.8057779521039,
            "volume_molar": 9.611828940944418,
            "formula_full": "Nd4 Al12 Pb8 O32",
            "formula_reduced": "NdAl3(PbO4)2",
            "formula_anonymous": "AB2C3D8",
            "energy": -418.74973882,
            "energy_per_atom": -7.4776739075,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -396.76573882,
            "band_gap": 2.9857,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001885,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:17.654000Z",
            "spacegroup": 224
        },
        {
            "id": "mp-5409",
            "created_at": "2022-09-04T14:45:59.960647Z",
            "structure_string": "Y16 Al8 O36\n1.0\n10.560758 0.000000 0.000000\n0.000000 7.436859 0.000000\n0.000000 3.569356 10.680306\nY Al O\n16 8 36\ndirect\n0.621985 0.161382 0.916972 Y\n0.121985 0.838618 0.583028 Y\n0.378015 0.838618 0.083028 Y\n0.878015 0.161382 0.416972 Y\n0.627038 0.660174 0.938512 Y\n0.127038 0.339826 0.561488 Y\n0.372962 0.339826 0.061488 Y\n0.872962 0.660174 0.438512 Y\n0.596072 0.977269 0.305561 Y\n0.096072 0.022731 0.194439 Y\n0.403928 0.022731 0.694439 Y\n0.903928 0.977269 0.805561 Y\n0.609702 0.476737 0.285326 Y\n0.109702 0.523263 0.214674 Y\n0.390298 0.523263 0.714674 Y\n0.890298 0.476737 0.785326 Y\n0.676677 0.346094 0.614103 Al\n0.176677 0.653906 0.885897 Al\n0.323323 0.653906 0.385897 Al\n0.823323 0.346094 0.114103 Al\n0.678941 0.782484 0.627989 Al\n0.178941 0.217516 0.872011 Al\n0.321059 0.217516 0.372011 Al\n0.821059 0.782484 0.127989 Al\n0.508089 0.435459 0.892141 O\n0.008089 0.564541 0.607859 O\n0.491911 0.564541 0.107859 O\n0.991911 0.435459 0.392141 O\n0.494276 0.922614 0.893245 O\n0.994276 0.077386 0.606755 O\n0.505724 0.077386 0.106755 O\n0.005724 0.922614 0.393245 O\n0.516961 0.304907 0.659536 O\n0.016961 0.695093 0.840464 O\n0.483039 0.695093 0.340464 O\n0.983039 0.304907 0.159536 O\n0.729986 0.362443 0.462542 O\n0.229986 0.637557 0.037458 O\n0.516223 0.787936 0.653892 O\n0.270014 0.637557 0.537458 O\n0.739495 0.566426 0.616443 O\n0.239495 0.433574 0.883557 O\n0.260505 0.433574 0.383557 O\n0.760505 0.566426 0.116443 O\n0.733379 0.926343 0.481251 O\n0.233379 0.073657 0.018749 O\n0.266621 0.073657 0.518749 O\n0.766621 0.926343 0.981251 O\n0.761738 0.209874 0.747439 O\n0.261738 0.790126 0.752561 O\n0.238262 0.790126 0.252561 O\n0.738262 0.209874 0.247439 O\n0.760304 0.769408 0.768678 O\n0.260304 0.230592 0.731322 O\n0.239696 0.230592 0.231322 O\n0.739696 0.769408 0.268678 O\n0.983777 0.787936 0.153892 O\n0.483777 0.212064 0.346108 O\n0.016223 0.212064 0.846108 O\n0.770014 0.362443 0.962542 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Y",
                "Al",
                "O"
            ],
            "chemical_system": "Al-O-Y",
            "density": 4.383509893160336,
            "density_atomic": 0.0715291256217818,
            "volume": 838.8191450466858,
            "volume_molar": 8.419144939423333,
            "formula_full": "Y16 Al8 O36",
            "formula_reduced": "Y4Al2O9",
            "formula_anonymous": "A2B4C9",
            "energy": -539.85565193,
            "energy_per_atom": -8.997594198833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -515.12365193,
            "band_gap": 4.210100000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0007539,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:15.325000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-631552",
            "created_at": "2022-09-04T14:45:59.969565Z",
            "structure_string": "Sr1 Bi1 B1\n1.0\n0.000000 3.693254 3.693254\n3.693254 0.000000 3.693254\n3.693254 3.693254 0.000000\nSr Bi B\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.750000 0.750000 Bi\n0.500000 0.500000 0.500000 B\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Sr",
                "Bi",
                "B"
            ],
            "chemical_system": "B-Bi-Sr",
            "density": 5.066540749626782,
            "density_atomic": 0.02977581986654284,
            "volume": 100.75289323505432,
            "volume_molar": 20.224936834624963,
            "formula_full": "Sr1 Bi1 B1",
            "formula_reduced": "SrBiB",
            "formula_anonymous": "ABC",
            "energy": -9.45787079,
            "energy_per_atom": -3.1526235966666665,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -9.45787079,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001737,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:16.039000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-972877",
            "created_at": "2022-09-04T14:45:59.977007Z",
            "structure_string": "Sc2 Al1 Ir1\n1.0\n0.000000 3.301043 3.301043\n3.301043 0.000000 3.301043\n3.301043 3.301043 0.000000\nSc Al Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Ir\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Sc",
                "Al",
                "Ir"
            ],
            "chemical_system": "Al-Ir-Sc",
            "density": 7.13475593938704,
            "density_atomic": 0.05560021244021936,
            "volume": 71.94217116167945,
            "volume_molar": 10.83114703289116,
            "formula_full": "Sc2 Al1 Ir1",
            "formula_reduced": "Sc2AlIr",
            "formula_anonymous": "ABC2",
            "energy": -28.19606396,
            "energy_per_atom": -7.04901599,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -28.19606396,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001464,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:17.412000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1179134",
            "created_at": "2022-09-04T14:45:59.992239Z",
            "structure_string": "Sr1 Al3 P2 O14\n1.0\n6.052763 -3.501884 0.000000\n6.052763 3.501884 0.000000\n4.026715 0.000000 5.717053\nSr Al P O\n1 3 2 14\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.689650 0.689650 0.689650 P\n0.310350 0.310350 0.310350 P\n0.599594 0.599594 0.599594 O\n0.400406 0.400406 0.400406 O\n0.841700 0.482019 0.841700 O\n0.841700 0.841700 0.482019 O\n0.482019 0.841700 0.841700 O\n0.158300 0.517981 0.158300 O\n0.158300 0.158300 0.517981 O\n0.517981 0.158300 0.158300 O\n0.748237 0.089020 0.748237 O\n0.748237 0.748237 0.089020 O\n0.089020 0.748237 0.748237 O\n0.251763 0.910980 0.251763 O\n0.251763 0.251763 0.910980 O\n0.910980 0.251763 0.251763 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Sr",
                "Al",
                "P",
                "O"
            ],
            "chemical_system": "Al-O-P-Sr",
            "density": 3.114073934514644,
            "density_atomic": 0.08252249623040388,
            "volume": 242.3581558192295,
            "volume_molar": 7.297574643387065,
            "formula_full": "Sr1 Al3 P2 O14",
            "formula_reduced": "SrAl3(PO7)2",
            "formula_anonymous": "AB2C3D14",
            "energy": -140.40064193,
            "energy_per_atom": -7.0200320965000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -130.78264193,
            "band_gap": 0.0067000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.9990015,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:19.355000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-729825",
            "created_at": "2022-09-04T14:46:00.001364Z",
            "structure_string": "Te4 Se4 N8 O40\n1.0\n6.194299 0.000000 0.000000\n0.000000 12.756111 0.000000\n0.000000 2.665673 12.564020\nTe Se N O\n4 4 8 40\ndirect\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.500000 Te\n0.941076 0.300574 0.767427 Se\n0.441076 0.199426 0.232573 Se\n0.058924 0.699426 0.232573 Se\n0.558924 0.800574 0.767427 Se\n0.158479 0.649851 0.626650 N\n0.658479 0.850149 0.373350 N\n0.841521 0.350149 0.373350 N\n0.341521 0.149851 0.626650 N\n0.561425 0.382718 0.924477 N\n0.061425 0.117282 0.075523 N\n0.438575 0.617282 0.075523 N\n0.938575 0.882718 0.924477 N\n0.083166 0.135530 0.662262 O\n0.583166 0.364470 0.337738 O\n0.916834 0.864470 0.337738 O\n0.416834 0.635530 0.662262 O\n0.718842 0.231999 0.789772 O\n0.218842 0.268001 0.210228 O\n0.281158 0.768001 0.210228 O\n0.781158 0.731999 0.789772 O\n0.955226 0.402102 0.667599 O\n0.455226 0.097898 0.332401 O\n0.044774 0.597898 0.332401 O\n0.544774 0.902102 0.667599 O\n0.145910 0.272420 0.847233 O\n0.645910 0.227580 0.152767 O\n0.854090 0.727580 0.152767 O\n0.354090 0.772420 0.847233 O\n0.266655 0.087767 0.085956 O\n0.766655 0.412233 0.914044 O\n0.733345 0.912233 0.914044 O\n0.233345 0.587767 0.085956 O\n0.953695 0.100193 0.002527 O\n0.453695 0.399807 0.997473 O\n0.046305 0.899807 0.997473 O\n0.546305 0.600193 0.002527 O\n0.611751 0.947901 0.131737 O\n0.111751 0.552099 0.868263 O\n0.388249 0.052099 0.868263 O\n0.888249 0.447901 0.131737 O\n0.461838 0.367378 0.426316 O\n0.961838 0.132622 0.573684 O\n0.538162 0.632622 0.573684 O\n0.038162 0.867378 0.426316 O\n0.597258 0.589137 0.379921 O\n0.097258 0.910863 0.620079 O\n0.402742 0.410863 0.620079 O\n0.902742 0.089137 0.379921 O\n0.859666 0.360793 0.460496 O\n0.359666 0.139207 0.539504 O\n0.140334 0.639207 0.539504 O\n0.640334 0.860793 0.460496 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Te",
                "Se",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Se-Te",
            "density": 2.6399227285120297,
            "density_atomic": 0.05640907176052405,
            "volume": 992.7481210422908,
            "volume_molar": 10.675837364539632,
            "formula_full": "Te4 Se4 N8 O40",
            "formula_reduced": "TeSe(NO5)2",
            "formula_anonymous": "ABC2D10",
            "energy": -300.95550093,
            "energy_per_atom": -5.374205373750001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -294.51550093,
            "band_gap": 0.4950000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0015166,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:20.608000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1096538",
            "created_at": "2022-09-04T14:46:00.002287Z",
            "structure_string": "Al2 Ni1 Pt1\n1.0\n-4.677771 5.733713 7.852329\n4.677771 -5.733713 7.852329\n4.677771 5.733713 -7.852329\nAl Ni Pt\n2 1 1\ndirect\n0.500000 0.250699 0.750699 Al\n0.500000 0.749301 0.249301 Al\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Pt\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Al",
                "Ni",
                "Pt"
            ],
            "chemical_system": "Al-Ni-Pt",
            "density": 0.606597105593812,
            "density_atomic": 0.0047481737716066974,
            "volume": 842.429151165306,
            "volume_molar": 126.83067321611979,
            "formula_full": "Al2 Ni1 Pt1",
            "formula_reduced": "Al2NiPt",
            "formula_anonymous": "ABC2",
            "energy": -12.86163237,
            "energy_per_atom": -3.2154080925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -12.86163237,
            "band_gap": 0.5222000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.5514811,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:19.309000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1213396",
            "created_at": "2022-09-04T14:45:59.956607Z",
            "structure_string": "K24 Ga24 Ge24 O96\n1.0\n0.000000 0.000000 -8.789124\n-9.451705 -16.370833 0.000000\n-9.451705 16.370833 0.000000\nK Ga Ge O\n24 24 24 96\ndirect\n0.983510 0.995991 0.525579 K\n0.983510 0.529588 0.004009 K\n0.483510 0.004009 0.474421 K\n0.983510 0.474421 0.470412 K\n0.483510 0.470412 0.995991 K\n0.483510 0.525579 0.529588 K\n0.983353 0.666667 0.333333 K\n0.483353 0.333333 0.666667 K\n0.980530 0.802526 0.133657 K\n0.980530 0.331131 0.197474 K\n0.480530 0.197474 0.866343 K\n0.980530 0.866343 0.668869 K\n0.480530 0.668869 0.802526 K\n0.480530 0.133657 0.331131 K\n0.476319 0.666667 0.333333 K\n0.976319 0.333333 0.666667 K\n0.979995 0.669479 0.855693 K\n0.979995 0.186214 0.330521 K\n0.479995 0.330521 0.144307 K\n0.979995 0.144307 0.813786 K\n0.479995 0.813786 0.669479 K\n0.479995 0.855693 0.186214 K\n0.993304 -0.000000 0.000000 K\n0.493304 -0.000000 0.000000 K\n0.685673 0.502268 0.824530 Ga\n0.685673 0.322263 0.497732 Ga\n0.185673 0.497732 0.175470 Ga\n0.685673 0.175470 0.677737 Ga\n0.185673 0.677737 0.502268 Ga\n0.185673 0.824530 0.322263 Ga\n0.685215 0.652788 0.165087 Ga\n0.685215 0.512299 0.347212 Ga\n0.185215 0.347212 0.834913 Ga\n0.685215 0.834913 0.487701 Ga\n0.185215 0.487701 0.652788 Ga\n0.185215 0.165087 0.512299 Ga\n0.788877 0.669036 0.669760 Ga\n0.788877 0.000724 0.330964 Ga\n0.288877 0.330964 0.330240 Ga\n0.788877 0.330240 0.999276 Ga\n0.288877 0.999276 0.669036 Ga\n0.288877 0.669760 0.000724 Ga\n0.662866 0.831110 0.993279 Ga\n0.662866 0.162169 0.168890 Ga\n0.162866 0.168890 0.006721 Ga\n0.662866 0.006721 0.837831 Ga\n0.162866 0.837831 0.831110 Ga\n0.162866 0.993279 0.162169 Ga\n0.802262 0.824926 0.319486 Ge\n0.802262 0.494560 0.175074 Ge\n0.302262 0.175074 0.680514 Ge\n0.802262 0.680514 0.505440 Ge\n0.302262 0.505440 0.824926 Ge\n0.302262 0.319486 0.494560 Ge\n0.779689 0.992724 0.158595 Ge\n0.779689 0.165871 0.007276 Ge\n0.279689 0.007276 0.841405 Ge\n0.779689 0.841405 0.834129 Ge\n0.279689 0.834129 0.992724 Ge\n0.279689 0.158595 0.165871 Ge\n0.687752 0.667426 0.003618 Ge\n0.687752 0.336192 0.332574 Ge\n0.187752 0.332574 0.996382 Ge\n0.687752 0.996382 0.663808 Ge\n0.187752 0.663808 0.667426 Ge\n0.187752 0.003618 0.336192 Ge\n0.801245 0.493118 0.656366 Ge\n0.801245 0.163248 0.506882 Ge\n0.301245 0.506882 0.343634 Ge\n0.801245 0.343634 0.836752 Ge\n0.301245 0.836752 0.493118 Ge\n0.301245 0.656366 0.163248 Ge\n0.766769 0.738427 0.978372 O\n0.766769 0.239944 0.261573 O\n0.266769 0.261573 0.021628 O\n0.766769 0.021628 0.760056 O\n0.266769 0.760056 0.738427 O\n0.266769 0.978372 0.239944 O\n0.749487 0.567299 0.932406 O\n0.749487 0.365107 0.432701 O\n0.249487 0.432701 0.067594 O\n0.749487 0.067594 0.634893 O\n0.249487 0.634893 0.567299 O\n0.249487 0.932406 0.365107 O\n0.763291 0.692698 0.100466 O\n0.763291 0.407769 0.307302 O\n0.263291 0.307302 0.899534 O\n0.763291 0.899534 0.592231 O\n0.263291 0.592231 0.692698 O\n0.263291 0.100466 0.407769 O\n0.709058 0.565947 0.637506 O\n0.709058 0.071559 0.434053 O\n0.209058 0.434053 0.362494 O\n0.709058 0.362494 0.928441 O\n0.209058 0.928441 0.565947 O\n0.209058 0.637506 0.071559 O\n0.701784 0.731255 0.274682 O\n0.701784 0.543428 0.268745 O\n0.201784 0.268745 0.725318 O\n0.701784 0.725318 0.456572 O\n0.201784 0.456572 0.731255 O\n0.201784 0.274682 0.543428 O\n0.965798 0.950642 0.141299 O\n0.965798 0.190657 0.049358 O\n0.465798 0.049358 0.858701 O\n0.965798 0.858701 0.809343 O\n0.465798 0.809343 0.950642 O\n0.465798 0.141299 0.190657 O\n0.720487 0.737964 0.775837 O\n0.720487 0.037873 0.262036 O\n0.220487 0.262036 0.224163 O\n0.720487 0.224163 0.962128 O\n0.220487 0.962128 0.737964 O\n0.220487 0.775837 0.037873 O\n0.772016 0.874064 0.939496 O\n0.772016 0.065432 0.125936 O\n0.272016 0.125936 0.060504 O\n0.772016 0.060504 0.934568 O\n0.272016 0.934568 0.874064 O\n0.272016 0.939496 0.065432 O\n0.805128 0.865620 0.426182 O\n0.805128 0.560561 0.134380 O\n0.305128 0.134380 0.573818 O\n0.805128 0.573818 0.439439 O\n0.305128 0.439439 0.865620 O\n0.305128 0.426182 0.560561 O\n0.986715 0.469569 0.613470 O\n0.986715 0.143901 0.530431 O\n0.486715 0.530431 0.386530 O\n0.986715 0.386530 0.856099 O\n0.486715 0.856099 0.469569 O\n0.486715 0.613470 0.143901 O\n0.992991 0.664567 0.680330 O\n0.992991 0.015762 0.335433 O\n0.492991 0.335433 0.319670 O\n0.992991 0.319670 0.984238 O\n0.492991 0.984238 0.664567 O\n0.492991 0.680330 0.015762 O\n0.651011 0.911072 0.102174 O\n0.651011 0.191102 0.088928 O\n0.151011 0.088928 0.897826 O\n0.651011 0.897826 0.808898 O\n0.151011 0.808898 0.911072 O\n0.151011 0.102174 0.191102 O\n0.811947 0.529337 0.762594 O\n0.811947 0.233257 0.470663 O\n0.311947 0.470663 0.237406 O\n0.811947 0.237406 0.766743 O\n0.311947 0.766743 0.529337 O\n0.311947 0.762594 0.233257 O\n0.697012 0.400350 0.607834 O\n0.697012 0.207484 0.599650 O\n0.197012 0.599650 0.392166 O\n0.697012 0.392166 0.792516 O\n0.197012 0.792516 0.400350 O\n0.197012 0.607834 0.207484 O\n0.989944 0.803895 0.279629 O\n0.989944 0.475735 0.196105 O\n0.489944 0.196105 0.720371 O\n0.989944 0.720371 0.524265 O\n0.489944 0.524265 0.803895 O\n0.489944 0.279629 0.475735 O\n0.717188 0.895743 0.295083 O\n0.717188 0.399340 0.104257 O\n0.217188 0.104257 0.704917 O\n0.717188 0.704917 0.600660 O\n0.217188 0.600660 0.895743 O\n0.217188 0.295083 0.399340 O\n",
            "nsites": 168,
            "nelements": 4,
            "elements": [
                "K",
                "Ga",
                "Ge",
                "O"
            ],
            "chemical_system": "Ga-Ge-K-O",
            "density": 3.596520987125659,
            "density_atomic": 0.06176646659287875,
            "volume": 2719.92246387248,
            "volume_molar": 9.749854722456005,
            "formula_full": "K24 Ga24 Ge24 O96",
            "formula_reduced": "KGaGeO4",
            "formula_anonymous": "ABCD4",
            "energy": -1064.02826142,
            "energy_per_atom": -6.333501556071429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -998.0762614200002,
            "band_gap": 3.197,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:15.209000Z",
            "spacegroup": 173
        },
        {
            "id": "mp-752466",
            "created_at": "2022-09-04T14:45:59.966284Z",
            "structure_string": "Li4 Mn4 C6 O18\n1.0\n0.000012 5.098113 3.486490\n-4.874935 -5.098419 3.486921\n4.874937 -5.098408 3.486939\nLi Mn C O\n4 4 6 18\ndirect\n0.843882 0.421946 0.421940 Li\n0.843889 0.921947 0.921956 Li\n0.578146 0.039074 0.539076 Li\n0.578198 0.539086 0.039080 Li\n0.186732 0.628452 0.128444 Mn\n0.756901 0.343319 0.843329 Mn\n0.186551 0.128424 0.628426 Mn\n0.757071 0.843373 0.343374 Mn\n0.204976 0.852418 0.352419 C\n0.204908 0.352431 0.852428 C\n0.422702 0.413045 0.413065 C\n0.422692 0.913063 0.913044 C\n0.826232 0.211450 0.211467 C\n0.826229 0.711466 0.711449 C\n0.015531 0.757711 0.257712 O\n0.015479 0.257720 0.757718 O\n0.220931 0.421146 0.421173 O\n0.220922 0.921175 0.921146 O\n0.842300 0.110523 0.110577 O\n0.842303 0.610579 0.610523 O\n0.182970 0.951664 0.451661 O\n0.182948 0.451683 0.951686 O\n0.403533 0.841449 0.341448 O\n0.403438 0.341433 0.841432 O\n0.524217 0.292291 0.523543 O\n0.524199 0.792287 0.023512 O\n0.815946 0.146569 0.377841 O\n0.815897 0.646565 0.877811 O\n0.524214 0.023540 0.792294 O\n0.524213 0.523513 0.292292 O\n0.815945 0.877843 0.646571 O\n0.815901 0.377811 0.146561 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "C",
                "O"
            ],
            "chemical_system": "C-Li-Mn-O",
            "density": 2.9105705174721717,
            "density_atomic": 0.0923172768679075,
            "volume": 346.6306750554104,
            "volume_molar": 6.523308490367195,
            "formula_full": "Li4 Mn4 C6 O18",
            "formula_reduced": "Li2Mn2(CO3)3",
            "formula_anonymous": "A2B2C3D9",
            "energy": -253.1821939,
            "energy_per_atom": -7.911943559375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -234.1441939,
            "band_gap": 4.0204,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:15.112000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1213213",
            "created_at": "2022-09-04T14:45:59.968839Z",
            "structure_string": "Cs1 Tm1 W2 O8\n1.0\n3.043640 -5.271739 0.000000\n3.043640 5.271739 0.000000\n0.000000 0.000000 8.272320\nCs Tm W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666667 0.270390 W\n0.666667 0.333333 0.729610 W\n0.168598 0.831402 0.339346 O\n0.831402 0.168598 0.660654 O\n0.168598 0.337195 0.339346 O\n0.831402 0.662805 0.660654 O\n0.662805 0.831402 0.339346 O\n0.337195 0.168598 0.660654 O\n0.333333 0.666667 0.055809 O\n0.666667 0.333333 0.944191 O\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Cs",
                "Tm",
                "W",
                "O"
            ],
            "chemical_system": "Cs-O-Tm-W",
            "density": 4.988653928948803,
            "density_atomic": 0.045203986947953426,
            "volume": 265.46330999113985,
            "volume_molar": 13.322145161517989,
            "formula_full": "Cs1 Tm1 W2 O8",
            "formula_reduced": "CsTm(WO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -102.73353626,
            "energy_per_atom": -8.561128021666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -88.36153626,
            "band_gap": 4.7348,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0023638,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:12.420000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-1029444",
            "created_at": "2022-09-04T14:45:59.981847Z",
            "structure_string": "K4 Co4 N4\n1.0\n3.479979 0.000000 0.000000\n0.000000 6.304569 0.000000\n0.000000 0.000000 10.291457\nK Co N\n4 4 4\ndirect\n0.250000 0.077557 0.664487 K\n0.250000 0.422443 0.164487 K\n0.750000 0.922443 0.335513 K\n0.750000 0.577557 0.835513 K\n0.250000 0.600362 0.543512 Co\n0.250000 0.899638 0.043512 Co\n0.750000 0.399638 0.456488 Co\n0.750000 0.100362 0.956488 Co\n0.250000 0.152557 0.935829 N\n0.250000 0.347443 0.435829 N\n0.750000 0.847443 0.064171 N\n0.750000 0.652557 0.564171 N\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "K",
                "Co",
                "N"
            ],
            "chemical_system": "Co-K-N",
            "density": 3.295841387316754,
            "density_atomic": 0.05314621704834024,
            "volume": 225.79217612205875,
            "volume_molar": 11.331268892614572,
            "formula_full": "K4 Co4 N4",
            "formula_reduced": "KCoN",
            "formula_anonymous": "ABC",
            "energy": -68.09773675,
            "energy_per_atom": -5.674811395833333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -66.65373675,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.7778595,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:15.763000Z",
            "spacegroup": 62
        }
    ]
}