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=7",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=5",
"results": [
{
"id": "mp-114",
"created_at": "2022-09-04T14:44:17.216199Z",
"structure_string": "Pu1\n1.0\n0.000000 2.394238 2.394238\n2.394238 0.000000 2.394238\n2.394238 2.394238 0.000000\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 14.76070055473347,
"density_atomic": 0.036430744462104044,
"volume": 27.449342986669382,
"volume_molar": 16.530380723524182,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -13.99062127,
"energy_per_atom": -13.99062127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.99062127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7357689,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.375000Z",
"spacegroup": 225
},
{
"id": "mp-1224349",
"created_at": "2022-09-04T14:44:50.483390Z",
"structure_string": "Ge1\n1.0\n1.397149 -2.600516 0.000000\n1.397149 2.600516 0.000000\n0.000000 0.000000 2.698231\nGe\n1\ndirect\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.151960740616385,
"density_atomic": 0.05100216622079943,
"volume": 19.607010331106004,
"volume_molar": 11.807617609669457,
"formula_full": "Ge1",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -4.37127396,
"energy_per_atom": -4.37127396,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.37127396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.818000Z",
"spacegroup": 65
},
{
"id": "mp-8643",
"created_at": "2022-09-04T14:45:09.701003Z",
"structure_string": "Os1\n1.0\n0.000000 1.931726 1.931726\n1.931726 0.000000 1.931726\n1.931726 1.931726 0.000000\nOs\n1\ndirect\n0.000000 0.000000 0.000000 Os\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 21.910966458732304,
"density_atomic": 0.06936388805536671,
"volume": 14.416723572383852,
"volume_molar": 8.681953865090561,
"formula_full": "Os1",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -11.094008,
"energy_per_atom": -11.094008,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.094008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.661000Z",
"spacegroup": 225
},
{
"id": "mp-10023",
"created_at": "2022-09-04T14:45:15.106703Z",
"structure_string": "La1\n1.0\n-2.111814 2.111814 2.111814\n2.111814 -2.111814 2.111814\n2.111814 2.111814 -2.111814\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
"nsites": 1,
"nelements": 1,
"elements": [
"La"
],
"chemical_system": "La",
"density": 6.122678571967442,
"density_atomic": 0.02654440620759267,
"volume": 37.67272065456727,
"volume_molar": 22.687042659396344,
"formula_full": "La1",
"formula_reduced": "La",
"formula_anonymous": "A",
"energy": -4.80249767,
"energy_per_atom": -4.80249767,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.80249767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6083648,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.084000Z",
"spacegroup": 229
},
{
"id": "mp-1056376",
"created_at": "2022-09-04T14:44:18.360723Z",
"structure_string": "Zr1\n1.0\n1.505662 -2.607883 0.000000\n1.505662 2.607883 0.000000\n0.000000 0.000000 3.037038\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.35129659555715,
"density_atomic": 0.04192800372727767,
"volume": 23.850408106823757,
"volume_molar": 14.363051480273777,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -8.18592099,
"energy_per_atom": -8.18592099,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.18592099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.285000Z",
"spacegroup": 191
},
{
"id": "mp-166",
"created_at": "2022-09-04T14:45:15.332479Z",
"structure_string": "Ca1\n1.0\n-2.245020 2.245020 2.097502\n2.245020 -2.245020 2.097502\n2.245020 2.245020 -2.097502\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5738101244536746,
"density_atomic": 0.023648151360468182,
"volume": 42.286603496274395,
"volume_molar": 25.465587851687253,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.98438209,
"energy_per_atom": -1.98438209,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.98438209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.720000Z",
"spacegroup": 139
},
{
"id": "mp-1096950",
"created_at": "2022-09-04T14:45:54.814333Z",
"structure_string": "Fe1\n1.0\n1.244977 -2.156364 0.000000\n1.244977 2.156364 0.000000\n0.000000 0.000000 2.393789\nFe\n1\ndirect\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.214963345850613,
"density_atomic": 0.07780378702116247,
"volume": 12.852844807258572,
"volume_molar": 7.740164059574619,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -7.99332179,
"energy_per_atom": -7.99332179,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.99332179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4667001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.394000Z",
"spacegroup": 191
},
{
"id": "mp-998860",
"created_at": "2022-09-04T14:40:16.796831Z",
"structure_string": "Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.6827233788539964,
"density_atomic": 0.05987700721108859,
"volume": 16.7009015075625,
"volume_molar": 10.057517969743758,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.65313185,
"energy_per_atom": -3.65313185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.65313185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.505000Z",
"spacegroup": 229
},
{
"id": "mp-753304",
"created_at": "2022-09-04T14:43:33.462524Z",
"structure_string": "Hg1\n1.0\n0.000000 2.535410 2.535410\n2.535410 0.000000 2.535410\n2.535410 2.535410 0.000000\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.218420805720436,
"density_atomic": 0.030677884469927155,
"volume": 32.596771820438846,
"volume_molar": 19.63023482242842,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.29137629,
"energy_per_atom": -0.29137629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.29137629,
"band_gap": 0.3447,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.923000Z",
"spacegroup": 225
},
{
"id": "mp-63",
"created_at": "2022-09-04T14:39:15.625470Z",
"structure_string": "Pr1\n1.0\n-2.087273 2.087273 2.087273\n2.087273 -2.087273 2.087273\n2.087273 2.087273 -2.087273\nPr\n1\ndirect\n0.000000 0.000000 0.000000 Pr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.4325906061659195,
"density_atomic": 0.027491740934698652,
"volume": 36.374560722629674,
"volume_molar": 21.90527247548432,
"formula_full": "Pr1",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -4.64528909,
"energy_per_atom": -4.64528909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.64528909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5812416,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.023000Z",
"spacegroup": 229
},
{
"id": "mp-10654",
"created_at": "2022-09-04T14:40:09.085617Z",
"structure_string": "Te1\n1.0\n3.197462 0.000000 0.000000\n0.000000 3.197462 0.000000\n0.000000 0.000000 3.197462\nTe\n1\ndirect\n0.500000 0.500000 0.500000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.481620453792556,
"density_atomic": 0.030590306221883155,
"volume": 32.69009446151401,
"volume_molar": 19.686435030493374,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.09675431,
"energy_per_atom": -3.09675431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.09675431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.250000Z",
"spacegroup": 221
},
{
"id": "mp-75",
"created_at": "2022-09-04T14:42:03.416655Z",
"structure_string": "Nb1\n1.0\n-1.660260 1.660260 1.660260\n1.660260 -1.660260 1.660260\n1.660260 1.660260 -1.660260\nNb\n1\ndirect\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.427646883754438,
"density_atomic": 0.054627546382803364,
"volume": 18.305782818662305,
"volume_molar": 11.024000085597397,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -10.10130504,
"energy_per_atom": -10.10130504,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.10130504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.150000Z",
"spacegroup": 229
}
]
}