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=-energy_per_atom&page=1722",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=1720",
"results": [
{
"id": "mp-1009767",
"created_at": "2022-09-04T14:41:31.902510Z",
"structure_string": "Ag1 N1\n1.0\n1.576895 -2.731262 0.000000\n1.576895 2.731262 0.000000\n0.000000 0.000000 2.939526\nAg N\n1 1\ndirect\n0.666667 0.333333 0.000000 Ag\n0.000000 0.000000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"N"
],
"chemical_system": "Ag-N",
"density": 7.9926340665769695,
"density_atomic": 0.07898717030123738,
"volume": 25.320567788066068,
"volume_molar": 7.624201167142785,
"formula_full": "Ag1 N1",
"formula_reduced": "AgN",
"formula_anonymous": "AB",
"energy": -8.080198170000001,
"energy_per_atom": -4.0400990850000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.71919817,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.620000Z",
"spacegroup": 187
},
{
"id": "mp-752460",
"created_at": "2022-09-04T14:45:14.230310Z",
"structure_string": "Li4 Ag4 F16\n1.0\n4.854657 0.000000 0.000000\n0.000000 5.645234 0.000000\n0.000000 0.000000 11.332245\nLi Ag F\n4 4 16\ndirect\n0.000000 0.250000 0.062354 Li\n0.000000 0.750000 0.937646 Li\n0.500000 0.250000 0.562354 Li\n0.500000 0.750000 0.437646 Li\n0.000000 0.250000 0.331114 Ag\n0.000000 0.750000 0.668886 Ag\n0.500000 0.250000 0.831114 Ag\n0.500000 0.750000 0.168886 Ag\n0.216896 0.385987 0.199969 F\n0.216896 0.885987 0.800031 F\n0.250264 0.903286 0.050157 F\n0.250264 0.403286 0.949843 F\n0.249736 0.403286 0.449843 F\n0.249736 0.903286 0.550157 F\n0.283104 0.885987 0.300031 F\n0.283104 0.385987 0.699969 F\n0.716896 0.614013 0.300031 F\n0.716896 0.114013 0.699969 F\n0.750264 0.096714 0.449843 F\n0.750264 0.596714 0.550157 F\n0.749736 0.596714 0.050157 F\n0.749736 0.096714 0.949843 F\n0.783104 0.114013 0.199969 F\n0.783104 0.614013 0.800031 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 4.080725735798531,
"density_atomic": 0.07727780664801337,
"volume": 310.56782071100594,
"volume_molar": 7.792846382700504,
"formula_full": "Li4 Ag4 F16",
"formula_reduced": "LiAgF4",
"formula_anonymous": "ABC4",
"energy": -96.96723018999998,
"energy_per_atom": -4.040301257916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.57523019,
"band_gap": 0.4466000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.436000Z",
"spacegroup": 60
},
{
"id": "mp-1226840",
"created_at": "2022-09-04T14:46:07.266975Z",
"structure_string": "Cd2 In4 Se2 S6\n1.0\n-3.939239 3.967668 5.590438\n3.939239 -3.967668 5.590438\n3.939239 3.967668 -5.590438\nCd In Se S\n2 4 2 6\ndirect\n0.616429 0.116429 0.500000 Cd\n0.876548 0.876548 0.000000 Cd\n0.253259 0.503517 0.749742 In\n0.753775 0.503517 0.250258 In\n0.250125 0.506227 0.256102 In\n0.250125 0.994023 0.743898 In\n0.492214 0.258655 0.233560 Se\n0.025095 0.258655 0.766440 Se\n0.489812 0.261178 0.771366 S\n0.489812 0.718447 0.228634 S\n0.009705 0.740728 0.268977 S\n0.471751 0.740728 0.731023 S\n0.010674 0.739766 0.729092 S\n0.010674 0.281582 0.270908 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cd",
"In",
"Se",
"S"
],
"chemical_system": "Cd-In-S-Se",
"density": 4.9145731800765535,
"density_atomic": 0.040056643309922944,
"volume": 349.50507189732195,
"volume_molar": 15.034062423568521,
"formula_full": "Cd2 In4 Se2 S6",
"formula_reduced": "CdIn2SeS3",
"formula_anonymous": "ABC2D3",
"energy": -56.56430506,
"energy_per_atom": -4.040307504285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.60230506,
"band_gap": 1.2832,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.057000Z",
"spacegroup": 44
},
{
"id": "mp-1181879",
"created_at": "2022-09-04T14:44:57.443200Z",
"structure_string": "Cd1 Cu3 Ni1 Se4\n1.0\n5.771877 0.000000 0.000000\n0.000000 5.771877 0.000000\n0.000000 0.000000 5.771877\nCd Cu Ni Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.235344 0.235344 0.235344 Se\n0.764656 0.764656 0.235344 Se\n0.235344 0.764656 0.764656 Se\n0.764656 0.235344 0.764656 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cd",
"Cu",
"Ni",
"Se"
],
"chemical_system": "Cd-Cu-Ni-Se",
"density": 5.851403019036999,
"density_atomic": 0.04680489837498219,
"volume": 192.2875663118759,
"volume_molar": 12.866475452532788,
"formula_full": "Cd1 Cu3 Ni1 Se4",
"formula_reduced": "CdCu3NiSe4",
"formula_anonymous": "ABC3D4",
"energy": -36.36388345,
"energy_per_atom": -4.040431494444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.47588345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.253581,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.889000Z",
"spacegroup": 215
},
{
"id": "mp-684027",
"created_at": "2022-09-04T14:47:44.312265Z",
"structure_string": "Mg6 Mn4 Al36\n1.0\n0.000000 7.209417 7.209417\n7.209417 0.000000 7.209417\n7.209417 7.209417 0.000000\nMg Mn Al\n6 4 36\ndirect\n0.250000 0.250000 0.250000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.625000 0.125000 Mg\n0.000000 0.000000 0.000000 Mg\n0.125000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n0.625000 0.625000 0.125000 Mn\n0.625000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.334947 0.066446 0.799303 Al\n0.066446 0.799303 0.334947 Al\n0.915053 0.183554 0.450697 Al\n0.183554 0.450697 0.450697 Al\n0.066446 0.334947 0.799303 Al\n0.799303 0.799303 0.066446 Al\n0.799303 0.066446 0.799303 Al\n0.637418 0.637418 0.362582 Al\n0.799303 0.334947 0.066446 Al\n0.450697 0.450697 0.183554 Al\n0.450697 0.915053 0.450697 Al\n0.799303 0.066446 0.334947 Al\n0.637418 0.362582 0.637418 Al\n0.450697 0.183554 0.915053 Al\n0.183554 0.915053 0.450697 Al\n0.887418 0.887418 0.612582 Al\n0.066446 0.799303 0.799303 Al\n0.334947 0.799303 0.066446 Al\n0.799303 0.334947 0.799303 Al\n0.915053 0.450697 0.183554 Al\n0.612582 0.887418 0.887418 Al\n0.637418 0.362582 0.362582 Al\n0.450697 0.183554 0.450697 Al\n0.612582 0.887418 0.612582 Al\n0.183554 0.450697 0.915053 Al\n0.915053 0.450697 0.450697 Al\n0.362582 0.637418 0.637418 Al\n0.612582 0.612582 0.887418 Al\n0.887418 0.612582 0.612582 Al\n0.362582 0.362582 0.637418 Al\n0.450697 0.450697 0.915053 Al\n0.799303 0.799303 0.334947 Al\n0.334947 0.799303 0.799303 Al\n0.362582 0.637418 0.362582 Al\n0.887418 0.612582 0.887418 Al\n0.450697 0.915053 0.183554 Al\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Al"
],
"chemical_system": "Al-Mg-Mn",
"density": 2.962260814924126,
"density_atomic": 0.06138007251360685,
"volume": 749.4288963214019,
"volume_molar": 9.811231094041148,
"formula_full": "Mg6 Mn4 Al36",
"formula_reduced": "Mg3(MnAl9)2",
"formula_anonymous": "A2B3C18",
"energy": -185.86857861,
"energy_per_atom": -4.040621274130435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.86857861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0446924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.262000Z",
"spacegroup": 227
},
{
"id": "mp-12341",
"created_at": "2022-09-04T14:48:17.471055Z",
"structure_string": "Cs2 Pr2 Zn2 Te6\n1.0\n2.274605 -8.670176 0.000000\n2.274605 8.670176 0.000000\n0.000000 0.000000 12.117417\nCs Pr Zn Te\n2 2 2 6\ndirect\n0.253526 0.746474 0.750000 Cs\n0.746474 0.253526 0.250000 Cs\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.535012 0.464988 0.750000 Zn\n0.464988 0.535012 0.250000 Zn\n0.621218 0.378782 0.567044 Te\n0.378782 0.621218 0.432956 Te\n0.060735 0.939265 0.250000 Te\n0.939265 0.060735 0.750000 Te\n0.621218 0.378782 0.932956 Te\n0.378782 0.621218 0.067044 Te\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cs",
"Pr",
"Zn",
"Te"
],
"chemical_system": "Cs-Pr-Te-Zn",
"density": 5.0171332181600174,
"density_atomic": 0.025107720981697022,
"volume": 477.94063064296984,
"volume_molar": 23.985214605459447,
"formula_full": "Cs2 Pr2 Zn2 Te6",
"formula_reduced": "CsPrZnTe3",
"formula_anonymous": "ABCD3",
"energy": -48.488545720000005,
"energy_per_atom": -4.040712143333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.95654572,
"band_gap": 1.3607,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0029719,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:01.953000Z",
"spacegroup": 63
},
{
"id": "mp-12826",
"created_at": "2022-09-04T14:41:51.907480Z",
"structure_string": "Sb8 Te3\n1.0\n21.645505 -2.187484 0.000000\n21.645505 2.187484 0.000000\n21.424439 0.000000 3.782379\nSb Te\n8 3\ndirect\n0.178389 0.178389 0.178389 Sb\n0.363719 0.363719 0.363719 Sb\n0.636281 0.636281 0.636281 Sb\n0.821611 0.821611 0.821611 Sb\n0.547701 0.547701 0.547701 Sb\n0.095361 0.095361 0.095361 Sb\n0.904639 0.904639 0.904639 Sb\n0.452299 0.452299 0.452299 Sb\n0.276835 0.276835 0.276835 Te\n0.723164 0.723165 0.723164 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 6.290467046902225,
"density_atomic": 0.030710369242118497,
"volume": 358.1852081711143,
"volume_molar": 19.609470379603202,
"formula_full": "Sb8 Te3",
"formula_reduced": "Sb8Te3",
"formula_anonymous": "A3B8",
"energy": -44.44834594999999,
"energy_per_atom": -4.040758722727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.18234595,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.956000Z",
"spacegroup": 166
},
{
"id": "mp-11701",
"created_at": "2022-09-04T14:46:16.902024Z",
"structure_string": "Yb2 Cu2 Sb2\n1.0\n2.253325 -3.902873 0.000000\n2.253325 3.902873 0.000000\n0.000000 0.000000 7.454987\nYb Cu Sb\n2 2 2\ndirect\n0.000000 0.000000 0.734808 Yb\n0.000000 0.000000 0.234808 Yb\n0.666667 0.333333 0.552331 Cu\n0.333333 0.666667 0.052331 Cu\n0.333333 0.666667 0.463861 Sb\n0.666667 0.333333 0.963861 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Yb",
"density": 9.07604234495415,
"density_atomic": 0.04575790261137788,
"volume": 131.12489116815587,
"volume_molar": 13.160875862571924,
"formula_full": "Yb2 Cu2 Sb2",
"formula_reduced": "YbCuSb",
"formula_anonymous": "ABC",
"energy": -24.244869470000005,
"energy_per_atom": -4.040811578333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.86086947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.129000Z",
"spacegroup": 186
},
{
"id": "mp-862756",
"created_at": "2022-09-04T14:42:13.978216Z",
"structure_string": "Pr2 Ga6\n1.0\n3.258503 -5.643893 0.000000\n3.258503 5.643893 0.000000\n0.000000 0.000000 4.622851\nPr Ga\n2 6\ndirect\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.142349 0.284698 0.250000 Ga\n0.715302 0.857651 0.250000 Ga\n0.142349 0.857651 0.250000 Ga\n0.857651 0.715302 0.750000 Ga\n0.284698 0.142349 0.750000 Ga\n0.857651 0.142349 0.750000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Ga"
],
"chemical_system": "Ga-Pr",
"density": 6.837627684045175,
"density_atomic": 0.04704930350770072,
"volume": 170.03439803716992,
"volume_molar": 12.799638487771311,
"formula_full": "Pr2 Ga6",
"formula_reduced": "PrGa3",
"formula_anonymous": "AB3",
"energy": -32.32671429,
"energy_per_atom": -4.04083928625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.32671429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.416000Z",
"spacegroup": 194
},
{
"id": "mp-726248",
"created_at": "2022-09-04T14:40:55.846515Z",
"structure_string": "Li5 Br3 O2\n1.0\n-1.984039 1.984039 10.707760\n1.984039 -1.984039 10.707760\n1.984039 1.984039 -10.707760\nLi Br O\n5 3 2\ndirect\n0.500000 0.500000 0.000000 Li\n0.685511 0.685511 0.000000 Li\n0.314489 0.314489 0.000000 Li\n0.092973 0.592973 0.500000 Li\n0.407027 0.907027 0.500000 Li\n0.000000 0.000000 0.000000 Br\n0.187251 0.187251 0.000000 Br\n0.812749 0.812749 0.000000 Br\n0.593369 0.593369 0.000000 O\n0.406631 0.406631 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Br",
"O"
],
"chemical_system": "Br-Li-O",
"density": 3.0178748343831434,
"density_atomic": 0.05931178175210791,
"volume": 168.6005664404881,
"volume_molar": 10.153363433203515,
"formula_full": "Li5 Br3 O2",
"formula_reduced": "Li5Br3O2",
"formula_anonymous": "A2B3C5",
"energy": -40.40911523,
"energy_per_atom": -4.040911523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.43311523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0044524,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.295000Z",
"spacegroup": 119
},
{
"id": "mp-554686",
"created_at": "2022-09-04T14:43:03.710255Z",
"structure_string": "Mg4 As8 Xe8 F72\n1.0\n8.777315 0.000000 0.000000\n0.000000 13.309657 0.000000\n0.000000 10.617640 13.383487\nMg As Xe F\n4 8 8 72\ndirect\n0.037332 0.257980 0.135328 Mg\n0.537332 0.742020 0.364672 Mg\n0.462668 0.257980 0.635328 Mg\n0.962668 0.742020 0.864672 Mg\n0.307070 0.023644 0.170305 As\n0.736029 0.493249 0.607174 As\n0.192930 0.023644 0.670305 As\n0.236029 0.506751 0.892826 As\n0.692930 0.976356 0.829695 As\n0.807070 0.976356 0.329695 As\n0.763971 0.493249 0.107174 As\n0.263971 0.506751 0.392826 As\n0.851868 0.795715 0.168215 Xe\n0.703479 0.282410 0.950398 Xe\n0.796521 0.282410 0.450398 Xe\n0.203479 0.717590 0.549602 Xe\n0.648132 0.795715 0.668215 Xe\n0.148132 0.204285 0.831785 Xe\n0.296521 0.717590 0.049602 Xe\n0.351868 0.204285 0.331785 Xe\n0.728425 0.009662 0.714556 F\n0.157891 0.147088 0.113680 F\n0.094560 0.633885 0.844500 F\n0.046607 0.898456 0.730866 F\n0.364089 0.379246 0.946621 F\n0.547463 0.293691 0.860387 F\n0.799748 0.735614 0.787776 F\n0.301923 0.524268 0.134019 F\n0.609188 0.565701 0.637916 F\n0.821703 0.404992 0.725561 F\n0.228425 0.990338 0.785444 F\n0.343030 0.058967 0.055015 F\n0.843030 0.941033 0.444985 F\n0.656970 0.941033 0.944985 F\n0.801658 0.090900 0.526004 F\n0.373419 0.730747 0.453349 F\n0.405440 0.633885 0.344500 F\n0.952537 0.293691 0.360387 F\n0.842109 0.852912 0.886320 F\n0.271575 0.990338 0.285444 F\n0.151944 0.582678 0.426655 F\n0.156970 0.058967 0.555015 F\n0.864089 0.620754 0.553379 F\n0.698077 0.475732 0.865981 F\n0.651944 0.417322 0.073345 F\n0.890812 0.565701 0.137916 F\n0.171388 0.909586 0.197393 F\n0.390812 0.434299 0.362084 F\n0.828612 0.090414 0.802607 F\n0.198342 0.909100 0.473996 F\n0.453393 0.898456 0.230866 F\n0.452537 0.706309 0.139613 F\n0.698342 0.090900 0.026004 F\n0.136446 0.422040 0.013016 F\n0.678297 0.404992 0.225561 F\n0.198077 0.524268 0.634019 F\n0.848056 0.417322 0.573345 F\n0.998628 0.847454 0.057331 F\n0.671388 0.090414 0.302607 F\n0.594560 0.366115 0.655500 F\n0.348056 0.582678 0.926655 F\n0.363554 0.422040 0.513016 F\n0.299748 0.264386 0.712224 F\n0.498628 0.152546 0.442669 F\n0.863554 0.577960 0.986984 F\n0.636446 0.577960 0.486984 F\n0.953393 0.101544 0.269134 F\n0.801923 0.475732 0.365981 F\n0.200252 0.264386 0.212224 F\n0.771575 0.009662 0.214556 F\n0.301658 0.909100 0.973996 F\n0.321703 0.595008 0.774439 F\n0.109188 0.434299 0.862084 F\n0.556554 0.862506 0.856811 F\n0.443446 0.137494 0.143189 F\n0.178297 0.595008 0.274439 F\n0.626581 0.269253 0.546651 F\n0.328612 0.909586 0.697393 F\n0.546607 0.101544 0.769134 F\n0.001372 0.152546 0.942669 F\n0.700252 0.735614 0.287776 F\n0.056554 0.137494 0.643189 F\n0.126581 0.730747 0.953349 F\n0.501372 0.847454 0.557331 F\n0.342109 0.147088 0.613680 F\n0.905440 0.366115 0.155500 F\n0.657891 0.852912 0.386320 F\n0.635911 0.620754 0.053379 F\n0.873419 0.269253 0.046651 F\n0.047463 0.706309 0.639613 F\n0.135911 0.379246 0.446621 F\n0.943446 0.862506 0.356810 F\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Mg",
"As",
"Xe",
"F"
],
"chemical_system": "As-F-Mg-Xe",
"density": 3.308144549155631,
"density_atomic": 0.05884234849820218,
"volume": 1563.4997981566098,
"volume_molar": 10.234365068185536,
"formula_full": "Mg4 As8 Xe8 F72",
"formula_reduced": "MgAs2(XeF9)2",
"formula_anonymous": "AB2C2D18",
"energy": -371.7647613700001,
"energy_per_atom": -4.040921319239131,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.50076137,
"band_gap": 2.9017,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000554,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.254000Z",
"spacegroup": 14
},
{
"id": "mp-1186929",
"created_at": "2022-09-04T14:42:29.047363Z",
"structure_string": "Pr1 Y1 In2\n1.0\n0.000000 4.434030 4.434030\n4.434030 0.000000 4.434030\n4.434030 4.434030 0.000000\nPr Y In\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Y",
"In"
],
"chemical_system": "In-Pr-Y",
"density": 4.375835663996637,
"density_atomic": 0.0229421499601784,
"volume": 174.35157589602363,
"volume_molar": 26.249243294341934,
"formula_full": "Pr1 Y1 In2",
"formula_reduced": "PrYIn2",
"formula_anonymous": "ABC2",
"energy": -16.16377378,
"energy_per_atom": -4.040943445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.16377378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0087811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.135000Z",
"spacegroup": 225
}
]
}