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=density_atomic&page=68",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=66",
"results": [
{
"id": "mp-1210637",
"created_at": "2022-09-04T14:46:09.847615Z",
"structure_string": "Th4 B8 Os8\n1.0\n0.000000 0.000000 12.054459\n22.261321 0.000000 0.000000\n-0.000000 22.261321 0.000000\nTh B Os\n4 8 8\ndirect\n0.250000 0.250000 0.250000 Th\n0.250000 0.750000 0.750000 Th\n0.750000 0.250000 0.750000 Th\n0.750000 0.750000 0.250000 Th\n0.126345 0.035635 0.601010 B\n0.126345 0.964365 0.398990 B\n0.626345 0.898990 0.535635 B\n0.373655 0.464365 0.898990 B\n0.626345 0.101010 0.464365 B\n0.373655 0.535635 0.101010 B\n0.873655 0.601010 0.964365 B\n0.873655 0.398990 0.035635 B\n0.363673 0.615350 0.106246 Os\n0.363673 0.384650 0.893754 Os\n0.863673 0.393754 0.115350 Os\n0.136327 0.884650 0.393754 Os\n0.863673 0.606246 0.884650 Os\n0.136327 0.115350 0.606246 Os\n0.636327 0.106246 0.384650 Os\n0.636327 0.893754 0.615350 Os\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"B",
"Os"
],
"chemical_system": "B-Os-Th",
"density": 0.7050679808344311,
"density_atomic": 0.0033479611316989876,
"volume": 5973.785003247816,
"volume_molar": 179.87487079767703,
"formula_full": "Th4 B8 Os8",
"formula_reduced": "Th(BOs)2",
"formula_anonymous": "AB2C2",
"energy": -74.91008751,
"energy_per_atom": -3.7455043755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.91008751,
"band_gap": 0.0661999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.9999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.873000Z",
"spacegroup": 86
},
{
"id": "mp-1093982",
"created_at": "2022-09-04T14:42:15.431099Z",
"structure_string": "Ti1 Cd1 Pd2\n1.0\n-4.956240 6.534815 9.213601\n4.956240 -6.534815 9.213601\n4.956240 6.534815 -9.213601\nTi Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.222410 0.222410 Pd\n0.000000 0.777590 0.777590 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Ti",
"density": 0.5190632484374981,
"density_atomic": 0.003351081369983435,
"volume": 1193.6445458558867,
"volume_molar": 179.70738681376062,
"formula_full": "Ti1 Cd1 Pd2",
"formula_reduced": "TiCdPd2",
"formula_anonymous": "ABC2",
"energy": -13.19371494,
"energy_per_atom": -3.298428735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.19371494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9278061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.106000Z",
"spacegroup": 71
},
{
"id": "mp-1097606",
"created_at": "2022-09-04T14:45:09.060617Z",
"structure_string": "Zr2 In1 Ag1\n1.0\n-5.801993 6.015496 8.549645\n5.801993 -6.015496 8.549645\n5.801993 6.015496 -8.549645\nZr In Ag\n2 1 1\ndirect\n0.000000 0.247923 0.247923 Zr\n0.000000 0.752077 0.752077 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ag"
],
"chemical_system": "Ag-In-Zr",
"density": 0.5636263485048583,
"density_atomic": 0.0033512225903555392,
"volume": 1193.594245727387,
"volume_molar": 179.69981395240885,
"formula_full": "Zr2 In1 Ag1",
"formula_reduced": "Zr2InAg",
"formula_anonymous": "ABC2",
"energy": -11.44099455,
"energy_per_atom": -2.8602486375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.44099455,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3102691,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.820000Z",
"spacegroup": 71
},
{
"id": "mp-1210439",
"created_at": "2022-09-04T14:48:24.084190Z",
"structure_string": "Sm2 Ga12\n1.0\n17.851547 0.000000 0.000000\n0.000000 17.851547 0.000000\n0.000000 0.000000 13.106840\nSm Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.892156 0.402774 Ga\n0.000000 0.107844 0.402774 Ga\n0.892156 0.000000 0.402774 Ga\n0.107844 0.000000 0.597226 Ga\n0.000000 0.107844 0.597226 Ga\n0.107844 0.000000 0.402774 Ga\n0.892156 0.000000 0.597226 Ga\n0.000000 0.892156 0.597226 Ga\n0.500000 0.000000 0.218800 Ga\n0.000000 0.500000 0.218800 Ga\n0.000000 0.500000 0.781200 Ga\n0.500000 0.000000 0.781200 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 0.45217972026178166,
"density_atomic": 0.0033518017429680436,
"volume": 4176.858022516243,
"volume_molar": 179.66876390091474,
"formula_full": "Sm2 Ga12",
"formula_reduced": "SmGa6",
"formula_anonymous": "AB6",
"energy": -26.18422238,
"energy_per_atom": -1.8703015985714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.18422238,
"band_gap": 0.1123000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.1774394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.709000Z",
"spacegroup": 123
},
{
"id": "mp-1096014",
"created_at": "2022-09-04T14:40:04.803117Z",
"structure_string": "Y2 Hg1 Ru1\n1.0\n-5.728006 6.143738 8.475266\n5.728006 -6.143738 8.475266\n5.728006 6.143738 -8.475266\nY Hg Ru\n2 1 1\ndirect\n0.000000 0.204025 0.204025 Y\n0.000000 0.795975 0.795975 Y\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Hg",
"Ru"
],
"chemical_system": "Hg-Ru-Y",
"density": 0.6673637243433233,
"density_atomic": 0.003352822106082338,
"volume": 1193.0248231015955,
"volume_molar": 179.6140853722977,
"formula_full": "Y2 Hg1 Ru1",
"formula_reduced": "Y2HgRu",
"formula_anonymous": "ABC2",
"energy": -14.92328104,
"energy_per_atom": -3.73082026,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.92328104,
"band_gap": 0.1913,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.777000Z",
"spacegroup": 71
},
{
"id": "mp-1096118",
"created_at": "2022-09-04T14:41:55.351957Z",
"structure_string": "Sc1 Cd2 Ag1\n1.0\n-5.803700 6.042112 8.504609\n5.803700 -6.042112 8.504609\n5.803700 6.042112 -8.504609\nSc Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.261758 0.261758 Cd\n0.000000 0.738242 0.738242 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Sc",
"density": 0.5256855578178379,
"density_atomic": 0.0033531418173553492,
"volume": 1192.91107202702,
"volume_molar": 179.59695974773035,
"formula_full": "Sc1 Cd2 Ag1",
"formula_reduced": "ScCd2Ag",
"formula_anonymous": "ABC2",
"energy": -5.44203659,
"energy_per_atom": -1.3605091475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.44203659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.999989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.394000Z",
"spacegroup": 71
},
{
"id": "mp-1097481",
"created_at": "2022-09-04T14:44:07.387190Z",
"structure_string": "La1 Sb1 Au2\n1.0\n-5.399039 6.249596 8.824341\n5.399039 -6.249596 8.824341\n5.399039 6.249596 -8.824341\nLa Sb Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sb\n0.000000 0.249505 0.249505 Au\n0.000000 0.750495 0.750495 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Sb",
"Au"
],
"chemical_system": "Au-La-Sb",
"density": 0.9126694070309315,
"density_atomic": 0.0033585305994939603,
"volume": 1190.9970391821626,
"volume_molar": 179.30879536745545,
"formula_full": "La1 Sb1 Au2",
"formula_reduced": "LaSbAu2",
"formula_anonymous": "ABC2",
"energy": -11.61807805,
"energy_per_atom": -2.9045195125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.42607805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2186704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.230000Z",
"spacegroup": 71
},
{
"id": "mp-1093580",
"created_at": "2022-09-04T14:42:27.252909Z",
"structure_string": "Li2 Y1 In1\n1.0\n-5.940885 5.948411 8.422858\n5.940885 -5.948411 8.422858\n5.940885 5.948411 -8.422858\nLi Y In\n2 1 1\ndirect\n0.000000 0.261052 0.261052 Li\n0.000000 0.738948 0.738948 Li\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"In"
],
"chemical_system": "In-Li-Y",
"density": 0.30349258161265436,
"density_atomic": 0.0033596064567543524,
"volume": 1190.6156424834112,
"volume_molar": 179.25137475232344,
"formula_full": "Li2 Y1 In1",
"formula_reduced": "Li2YIn",
"formula_anonymous": "ABC2",
"energy": -6.2595091,
"energy_per_atom": -1.564877275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.2595091,
"band_gap": 0.0472999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.954000Z",
"spacegroup": 71
},
{
"id": "mp-1096061",
"created_at": "2022-09-04T14:48:29.953088Z",
"structure_string": "Ca1 Bi1 Au2\n1.0\n-5.540335 6.162206 8.708026\n5.540335 -6.162206 8.708026\n5.540335 6.162206 -8.708026\nCa Bi Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Bi\n0.000000 0.246209 0.246209 Au\n0.000000 0.753791 0.753791 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Ca",
"density": 0.8978471504202615,
"density_atomic": 0.0033636286657721076,
"volume": 1189.1919107193767,
"volume_molar": 179.03702692513602,
"formula_full": "Ca1 Bi1 Au2",
"formula_reduced": "CaBiAu2",
"formula_anonymous": "ABC2",
"energy": -9.24828744,
"energy_per_atom": -2.31207186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.24828744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8951039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.140000Z",
"spacegroup": 71
},
{
"id": "mp-1096235",
"created_at": "2022-09-04T14:45:54.085149Z",
"structure_string": "Mg1 Sc2 Ga1\n1.0\n-5.838295 5.981372 8.511138\n5.838295 -5.981372 8.511138\n5.838295 5.981372 -8.511138\nMg Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.273089 0.273089 Sc\n0.000000 0.726911 0.726911 Sc\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Ga"
],
"chemical_system": "Ga-Mg-Sc",
"density": 0.2569155503799655,
"density_atomic": 0.0033645386294502417,
"volume": 1188.8702852116135,
"volume_molar": 178.98860507314208,
"formula_full": "Mg1 Sc2 Ga1",
"formula_reduced": "MgSc2Ga",
"formula_anonymous": "ABC2",
"energy": -8.76384189,
"energy_per_atom": -2.1909604725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.76384189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.576000Z",
"spacegroup": 71
},
{
"id": "mp-1093767",
"created_at": "2022-09-04T14:39:26.282016Z",
"structure_string": "Sc2 Tl1 Mo1\n1.0\n-5.206349 6.027503 9.470115\n5.206349 -6.027503 9.470115\n5.206349 6.027503 -9.470115\nSc Tl Mo\n2 1 1\ndirect\n0.000000 0.218122 0.218122 Sc\n0.000000 0.781878 0.781878 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Mo"
],
"chemical_system": "Mo-Sc-Tl",
"density": 0.5451167130159293,
"density_atomic": 0.0033649145098942003,
"volume": 1188.7374815135402,
"volume_molar": 178.9686110090609,
"formula_full": "Sc2 Tl1 Mo1",
"formula_reduced": "Sc2TlMo",
"formula_anonymous": "ABC2",
"energy": -15.50063898,
"energy_per_atom": -3.875159745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.50063898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.517531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.629000Z",
"spacegroup": 71
},
{
"id": "mp-1097317",
"created_at": "2022-09-04T14:46:59.154274Z",
"structure_string": "Mg2 Zn1 Hg1\n1.0\n-5.940498 5.952421 8.400709\n5.940498 -5.952421 8.400709\n5.940498 5.952421 -8.400709\nMg Zn Hg\n2 1 1\ndirect\n0.751159 0.000000 0.751159 Mg\n0.248841 0.000000 0.248841 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Hg"
],
"chemical_system": "Hg-Mg-Zn",
"density": 0.43967099190968173,
"density_atomic": 0.003366414314001105,
"volume": 1188.2078754726585,
"volume_molar": 178.88887695592254,
"formula_full": "Mg2 Zn1 Hg1",
"formula_reduced": "Mg2ZnHg",
"formula_anonymous": "ABC2",
"energy": -0.84484994,
"energy_per_atom": -0.211212485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.84484994,
"band_gap": 0.2487999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.598000Z",
"spacegroup": 71
}
]
}