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=-nelements&page=12153",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12151",
"results": [
{
"id": "mp-11334",
"created_at": "2022-09-04T14:41:35.643478Z",
"structure_string": "W8\n1.0\n5.088852 0.000000 0.000000\n0.000000 5.088852 0.000000\n0.000000 0.000000 5.088852\nW\n8\ndirect\n0.250000 0.000000 0.500000 W\n0.750000 0.000000 0.500000 W\n0.000000 0.500000 0.250000 W\n0.000000 0.500000 0.750000 W\n0.500000 0.750000 0.000000 W\n0.500000 0.250000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n",
"nsites": 8,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.531886626123665,
"density_atomic": 0.06070584739417175,
"volume": 131.78302162648114,
"volume_molar": 9.920198825159922,
"formula_full": "W8",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -102.96692659,
"energy_per_atom": -12.87086582375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.96692659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.097000Z",
"spacegroup": 223
},
{
"id": "mp-1184755",
"created_at": "2022-09-04T14:41:36.653318Z",
"structure_string": "K2\n1.0\n2.379088 -4.120701 0.000000\n2.379088 4.120701 0.000000\n0.000000 0.000000 7.586569\nK\n2\ndirect\n0.333333 0.666667 0.250000 K\n0.666667 0.333333 0.750000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8729310679898711,
"density_atomic": 0.013445376824641508,
"volume": 148.75001467676051,
"volume_molar": 44.78967632177589,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.19756261,
"energy_per_atom": -1.098781305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.19756261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034722,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.041000Z",
"spacegroup": 194
},
{
"id": "mp-1183057",
"created_at": "2022-09-04T14:41:15.153496Z",
"structure_string": "Ac3\n1.0\n2.001328 -3.466402 0.000000\n2.001328 3.466402 0.000000\n0.000000 0.000000 9.803856\nAc\n3\ndirect\n0.655046 0.655046 0.000000 Ac\n0.344954 0.000000 0.333333 Ac\n0.000000 0.344954 0.666667 Ac\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.313273945401516,
"density_atomic": 0.02205449598808345,
"volume": 136.02668597010646,
"volume_molar": 27.30572833427661,
"formula_full": "Ac3",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -12.31676763,
"energy_per_atom": -4.10558921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.31676763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0228007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.599000Z",
"spacegroup": 152
},
{
"id": "mp-80",
"created_at": "2022-09-04T14:41:13.284675Z",
"structure_string": "Sb2\n1.0\n1.697055 -2.939385 0.000000\n1.697055 2.939385 0.000000\n0.000000 0.000000 5.494676\nSb\n2\ndirect\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.376651339480906,
"density_atomic": 0.03648425814647526,
"volume": 54.81816272570201,
"volume_molar": 16.506134606938136,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -7.67733684,
"energy_per_atom": -3.83866842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.67733684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.07e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.119000Z",
"spacegroup": 194
},
{
"id": "mp-974788",
"created_at": "2022-09-04T14:41:07.926935Z",
"structure_string": "Nd3\n1.0\n9.013033 -1.855996 0.000000\n9.013033 1.855996 0.000000\n8.630839 0.000000 3.191879\nNd\n3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.777290 0.777290 0.777290 Nd\n0.222710 0.222710 0.222710 Nd\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.728800860293036,
"density_atomic": 0.028092917417047204,
"volume": 106.78848178934791,
"volume_molar": 21.436508962738323,
"formula_full": "Nd3",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -14.29629073,
"energy_per_atom": -4.765430243333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.29629073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0462911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.722000Z",
"spacegroup": 166
},
{
"id": "mp-10157",
"created_at": "2022-09-04T14:41:13.641272Z",
"structure_string": "K1\n1.0\n0.000000 3.327867 3.327867\n3.327867 0.000000 3.327867\n3.327867 3.327867 0.000000\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8808036242463018,
"density_atomic": 0.013566634377869216,
"volume": 73.71024914117724,
"volume_molar": 44.38934957828385,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -1.09807417,
"energy_per_atom": -1.09807417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.09807417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.917000Z",
"spacegroup": 225
},
{
"id": "mp-604325",
"created_at": "2022-09-04T14:41:17.501526Z",
"structure_string": "K2\n1.0\n3.129391 3.113852 0.000000\n-3.129391 3.113852 0.000000\n0.000000 2.991758 7.891759\nK\n2\ndirect\n0.363817 0.636183 0.750000 K\n0.636183 0.363817 0.250000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8442583443643122,
"density_atomic": 0.013003743357955325,
"volume": 153.8018665045751,
"volume_molar": 46.31082446206402,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.07371566,
"energy_per_atom": -1.03685783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.07371566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.287000Z",
"spacegroup": 15
},
{
"id": "mp-108",
"created_at": "2022-09-04T14:41:08.150478Z",
"structure_string": "U1\n1.0\n-1.716436 1.716436 1.716436\n1.716436 -1.716436 1.716436\n1.716436 1.716436 -1.716436\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.540513392390526,
"density_atomic": 0.04943757555009057,
"volume": 20.227529138980362,
"volume_molar": 12.181302770194137,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -11.02285917,
"energy_per_atom": -11.02285917,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.02285917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035433,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.082000Z",
"spacegroup": 229
},
{
"id": "mp-86",
"created_at": "2022-09-04T14:41:08.321791Z",
"structure_string": "Sm3\n1.0\n8.860596 -1.830405 0.000000\n8.860596 1.830405 0.000000\n8.482475 0.000000 3.147724\nSm\n3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.222401 0.222401 0.222401 Sm\n0.777599 0.777599 0.777599 Sm\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.336111094289853,
"density_atomic": 0.029382211795742533,
"volume": 102.10259257727829,
"volume_molar": 20.495872815376703,
"formula_full": "Sm3",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"energy": -14.15304743,
"energy_per_atom": -4.717682476666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.15304743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002337,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.280000Z",
"spacegroup": 166
},
{
"id": "mp-1008498",
"created_at": "2022-09-04T14:41:11.006806Z",
"structure_string": "Ca4\n1.0\n-3.728040 3.728040 3.263556\n3.728040 -3.728040 3.263556\n3.728040 3.728040 -3.263556\nCa\n4\ndirect\n0.169766 0.669766 0.839531 Ca\n0.830234 0.330234 0.160469 Ca\n0.330234 0.169766 0.500000 Ca\n0.669766 0.830234 0.500000 Ca\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.467246027055084,
"density_atomic": 0.022046913786940476,
"volume": 181.4312895970685,
"volume_molar": 27.315119105546756,
"formula_full": "Ca4",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -7.36275945,
"energy_per_atom": -1.8406898625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.36275945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0470562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.129000Z",
"spacegroup": 140
},
{
"id": "mp-623511",
"created_at": "2022-09-04T14:40:56.831383Z",
"structure_string": "Sn1\n1.0\n-2.338342 -1.726539 1.775547\n-2.338342 1.726539 -1.775547\n2.338342 -1.726539 -1.775547\nSn\n1\ndirect\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 6.87479599169771,
"density_atomic": 0.03487573849936375,
"volume": 28.673227952384245,
"volume_molar": 17.26742147728245,
"formula_full": "Sn1",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -3.94816485,
"energy_per_atom": -3.94816485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.94816485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007173,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.372000Z",
"spacegroup": 139
},
{
"id": "mp-1056699",
"created_at": "2022-09-04T14:40:59.750856Z",
"structure_string": "U1\n1.0\n-0.006178 -2.680697 -0.026344\n0.017980 0.022401 -2.664060\n2.665728 -0.007871 0.015587\nU\n1\ndirect\n0.499999 0.000002 0.500000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 20.759420594174422,
"density_atomic": 0.052521415552994846,
"volume": 19.039852400607632,
"volume_molar": 11.466067120608306,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -11.12494657,
"energy_per_atom": -11.12494657,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.12494657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.579000Z",
"spacegroup": 221
}
]
}