HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10368",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=10366",
"results": [
{
"id": "mp-5456",
"created_at": "2022-09-04T14:40:02.700087Z",
"structure_string": "Sr2 Cu1 O3\n1.0\n-1.774336 1.986611 6.346370\n1.774336 -1.986611 6.346370\n1.774336 1.986611 -6.346370\nSr Cu O\n2 1 3\ndirect\n0.146782 0.646782 0.500000 Sr\n0.853218 0.353218 0.500000 Sr\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 O\n0.345292 0.845292 0.500000 O\n0.654708 0.154708 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sr",
"density": 5.321943242365502,
"density_atomic": 0.06705283903366671,
"volume": 89.48166977668829,
"volume_molar": 8.981186847250912,
"formula_full": "Sr2 Cu1 O3",
"formula_reduced": "Sr2CuO3",
"formula_anonymous": "AB2C3",
"energy": -36.94296178,
"energy_per_atom": -6.1571602966666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.88196178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018128,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.224000Z",
"spacegroup": 71
},
{
"id": "mp-1038991",
"created_at": "2022-09-04T14:40:16.685194Z",
"structure_string": "Ca2 Mg4\n1.0\n1.722537 -2.983522 0.000000\n1.722537 2.983522 0.000000\n0.000000 0.000000 16.887299\nCa Mg\n2 4\ndirect\n0.666667 0.333333 0.095567 Ca\n0.333333 0.666667 0.904433 Ca\n0.333333 0.666667 0.265987 Mg\n0.666667 0.333333 0.422014 Mg\n0.333333 0.666667 0.577986 Mg\n0.666667 0.333333 0.734013 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6968988756409855,
"density_atomic": 0.03456712482453276,
"volume": 173.57532714846212,
"volume_molar": 17.421584209184804,
"formula_full": "Ca2 Mg4",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy": -9.78328288,
"energy_per_atom": -1.6305471466666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78328288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.032000Z",
"spacegroup": 164
},
{
"id": "mp-11194",
"created_at": "2022-09-04T14:40:13.169256Z",
"structure_string": "Nd1 Mg1 Ni4\n1.0\n5.014930 0.000000 0.000000\n0.000000 5.018970 0.000000\n2.507465 2.509485 3.553538\nNd Mg Ni\n1 1 4\ndirect\n0.003864 0.253864 0.992271 Nd\n0.752893 0.502893 0.494215 Mg\n0.380281 0.383770 0.239439 Ni\n0.380281 0.876791 0.239439 Ni\n0.380867 0.877841 0.744318 Ni\n0.874815 0.877841 0.744318 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ni"
],
"chemical_system": "Mg-Nd-Ni",
"density": 7.487883226295933,
"density_atomic": 0.06708274280874359,
"volume": 89.44178113149479,
"volume_molar": 8.977183263316228,
"formula_full": "Nd1 Mg1 Ni4",
"formula_reduced": "NdMgNi4",
"formula_anonymous": "ABC4",
"energy": -31.46319553,
"energy_per_atom": -5.243865921666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.46319553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1721667,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.737000Z",
"spacegroup": 216
},
{
"id": "mp-1025136",
"created_at": "2022-09-04T14:40:07.279055Z",
"structure_string": "Eu1 Al3 Cu2\n1.0\n2.713939 -4.700681 0.000000\n2.713939 4.700681 0.000000\n0.000000 0.000000 4.115657\nEu Al Cu\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.333333 0.666667 0.000000 Cu\n0.666667 0.333333 0.000000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Eu",
"density": 5.692752598584484,
"density_atomic": 0.057137498050433375,
"volume": 105.00984825593866,
"volume_molar": 10.53973478972505,
"formula_full": "Eu1 Al3 Cu2",
"formula_reduced": "EuAl3Cu2",
"formula_anonymous": "AB2C3",
"energy": -31.948038670000003,
"energy_per_atom": -5.324673111666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.948038670000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8652681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.300000Z",
"spacegroup": 191
},
{
"id": "mp-1018804",
"created_at": "2022-09-04T14:40:07.897002Z",
"structure_string": "Mn2 S4\n1.0\n3.258033 0.000000 0.000000\n0.000000 4.681573 0.000000\n0.000000 0.000000 5.552881\nMn S\n2 4\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.698138 0.131618 S\n0.500000 0.301862 0.868382 S\n0.000000 0.198138 0.368382 S\n0.000000 0.801862 0.631618 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 4.668836558781954,
"density_atomic": 0.07084115041647496,
"volume": 84.69653534317291,
"volume_molar": 8.500907628681704,
"formula_full": "Mn2 S4",
"formula_reduced": "MnS2",
"formula_anonymous": "AB2",
"energy": -40.0080808,
"energy_per_atom": -6.668013466666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.9960808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9690027,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.099000Z",
"spacegroup": 58
},
{
"id": "mp-1094672",
"created_at": "2022-09-04T14:40:17.104117Z",
"structure_string": "Mg3 Ga3\n1.0\n1.592470 -7.559466 0.000000\n1.592470 7.559466 0.000000\n0.000000 0.000000 5.024098\nMg Ga\n3 3\ndirect\n0.989612 0.010388 0.000000 Mg\n0.675701 0.324299 0.000000 Mg\n0.110865 0.889135 0.500000 Mg\n0.331041 0.668959 0.000000 Ga\n0.441925 0.558075 0.500000 Ga\n0.784189 0.215811 0.500000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg",
"density": 3.8723720373619095,
"density_atomic": 0.04960218124843724,
"volume": 120.96242239728188,
"volume_molar": 12.14087890578347,
"formula_full": "Mg3 Ga3",
"formula_reduced": "MgGa",
"formula_anonymous": "AB",
"energy": -14.14942593,
"energy_per_atom": -2.358237655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.14942593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0493754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.741000Z",
"spacegroup": 38
},
{
"id": "mp-510148",
"created_at": "2022-09-04T14:40:07.227009Z",
"structure_string": "U1 Cu5\n1.0\n0.000000 3.520056 3.520056\n3.520056 0.000000 3.520056\n3.520056 3.520056 0.000000\nU Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Cu\n0.623608 0.623608 0.623608 Cu\n0.129175 0.623608 0.623608 Cu\n0.623608 0.129175 0.623608 Cu\n0.623608 0.623608 0.129175 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Cu"
],
"chemical_system": "Cu-U",
"density": 10.57929720409056,
"density_atomic": 0.06878164158655553,
"volume": 87.23257924063266,
"volume_molar": 8.755447850749063,
"formula_full": "U1 Cu5",
"formula_reduced": "UCu5",
"formula_anonymous": "AB5",
"energy": -31.173787090000005,
"energy_per_atom": -5.195631181666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.173787090000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4492061,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.628000Z",
"spacegroup": 216
},
{
"id": "mp-1217568",
"created_at": "2022-09-04T14:40:16.774953Z",
"structure_string": "Tb1 Dy1 C4\n1.0\n-3.679919 0.000000 0.000000\n-1.839960 1.847931 -3.113627\n-1.839960 -5.538121 -3.110225\nTb Dy C\n1 1 4\ndirect\n0.000000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Dy\n0.605352 0.592280 0.197015 C\n0.603997 0.093378 0.698628 C\n0.394648 0.407720 0.802985 C\n0.396003 0.906622 0.301372 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Dy",
"C"
],
"chemical_system": "C-Dy-Tb",
"density": 7.251496392178712,
"density_atomic": 0.07091739627801252,
"volume": 84.60547503011276,
"volume_molar": 8.491767994966736,
"formula_full": "Tb1 Dy1 C4",
"formula_reduced": "TbDyC4",
"formula_anonymous": "ABC4",
"energy": -47.2891373,
"energy_per_atom": -7.881522883333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.2891373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.168000Z",
"spacegroup": 12
},
{
"id": "mp-1226637",
"created_at": "2022-09-04T14:40:16.269438Z",
"structure_string": "Ce1 Al2 Ag3\n1.0\n2.739373 -4.806047 0.000000\n2.739373 4.806047 0.000000\n0.000000 0.000000 4.570189\nCe Al Ag\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.175885 0.824115 0.000000 Ag\n0.824115 0.175885 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Ce",
"density": 7.143486499565983,
"density_atomic": 0.04985949891071338,
"volume": 120.33815283111021,
"volume_molar": 12.07822158578897,
"formula_full": "Ce1 Al2 Ag3",
"formula_reduced": "CeAl2Ag3",
"formula_anonymous": "AB2C3",
"energy": -23.5063517,
"energy_per_atom": -3.917725283333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.5063517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6194872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.003000Z",
"spacegroup": 65
},
{
"id": "mp-1071216",
"created_at": "2022-09-04T14:40:16.854879Z",
"structure_string": "Pr2 Co2 Si1 C1\n1.0\n-1.975370 3.017750 4.535249\n1.975370 -3.017750 4.535249\n1.975370 3.017750 -4.535249\nPr Co Si C\n2 2 1 1\ndirect\n0.690248 0.190248 0.500000 Pr\n0.309752 0.809752 0.500000 Pr\n0.794455 0.500000 0.294455 Co\n0.205545 0.500000 0.705545 Co\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Pr",
"Co",
"Si",
"C"
],
"chemical_system": "C-Co-Pr-Si",
"density": 6.752889584886079,
"density_atomic": 0.05548280514644635,
"volume": 108.14161223757623,
"volume_molar": 10.854066848467044,
"formula_full": "Pr2 Co2 Si1 C1",
"formula_reduced": "Pr2Co2SiC",
"formula_anonymous": "ABC2D2",
"energy": -40.97440907,
"energy_per_atom": -6.829068178333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.04540907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.349000Z",
"spacegroup": 71
},
{
"id": "mp-1265399",
"created_at": "2022-09-04T14:40:07.098263Z",
"structure_string": "Al4 C1 O1\n1.0\n2.629853 0.187341 -1.278837\n-1.391431 6.012877 5.054116\n-0.564838 0.931767 5.791276\nAl C O\n4 1 1\ndirect\n0.246043 0.602189 0.613777 Al\n0.634602 0.085107 0.998255 Al\n0.313182 0.575015 0.197094 Al\n0.596114 0.026187 0.526255 Al\n0.964281 0.779379 0.648987 C\n0.258633 0.220449 0.492566 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"C",
"O"
],
"chemical_system": "Al-C-O",
"density": 2.9132821590253877,
"density_atomic": 0.07743715752099091,
"volume": 77.48218287033042,
"volume_molar": 7.776810193953176,
"formula_full": "Al4 C1 O1",
"formula_reduced": "Al4CO",
"formula_anonymous": "ABC4",
"energy": -32.70036108,
"energy_per_atom": -5.45006018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.01336108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.569000Z",
"spacegroup": 6
},
{
"id": "mp-551685",
"created_at": "2022-09-04T14:40:07.057876Z",
"structure_string": "Pb4 O2\n1.0\n5.472354 0.000000 0.000000\n0.000000 5.472354 0.000000\n0.000000 0.000000 5.472354\nPb O\n4 2\ndirect\n0.750000 0.750000 0.250000 Pb\n0.750000 0.250000 0.750000 Pb\n0.250000 0.750000 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"O"
],
"chemical_system": "O-Pb",
"density": 8.722243354793145,
"density_atomic": 0.03661244224110745,
"volume": 163.87871534183984,
"volume_molar": 16.448344855942185,
"formula_full": "Pb4 O2",
"formula_reduced": "Pb2O",
"formula_anonymous": "AB2",
"energy": -28.48847092,
"energy_per_atom": -4.7480784866666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.11447092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016576,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.508000Z",
"spacegroup": 224
}
]
}