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=19",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=17",
"results": [
{
"id": "mp-1096861",
"created_at": "2022-09-04T14:47:04.860892Z",
"structure_string": "Cd1\n1.0\n0.000000 2.265485 2.265485\n2.265485 0.000000 2.265485\n2.265485 2.265485 0.000000\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.026835080186322,
"density_atomic": 0.04300177983194949,
"volume": 23.25485140168592,
"volume_molar": 14.004398849383591,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -0.92288976,
"energy_per_atom": -0.92288976,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.92288976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.791000Z",
"spacegroup": 225
},
{
"id": "mp-10752",
"created_at": "2022-09-04T14:47:05.919791Z",
"structure_string": "Er1\n1.0\n0.000000 2.479631 2.479631\n2.479631 0.000000 2.479631\n2.479631 2.479631 0.000000\nEr\n1\ndirect\n0.000000 0.000000 0.000000 Er\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.108511817257998,
"density_atomic": 0.032795090426588104,
"volume": 30.49236904037519,
"volume_molar": 18.36293384670055,
"formula_full": "Er1",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -4.5408031,
"energy_per_atom": -4.5408031,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.5408031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.704000Z",
"spacegroup": 225
},
{
"id": "mp-10869",
"created_at": "2022-09-04T14:41:26.759513Z",
"structure_string": "S1\n1.0\n2.575968 0.000000 0.000000\n0.000000 2.575968 0.000000\n0.000000 0.000000 2.575968\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.1150064527763854,
"density_atomic": 0.05850306356903289,
"volume": 17.09312194941744,
"volume_molar": 10.293718640723743,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -3.51000844,
"energy_per_atom": -3.51000844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.51000844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.088000Z",
"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
},
{
"id": "mp-1178932",
"created_at": "2022-09-04T14:47:08.133102Z",
"structure_string": "Te1\n1.0\n2.157882 -2.358491 0.000000\n2.157882 2.358491 0.000000\n-0.419868 0.000000 3.169014\nTe\n1\ndirect\n0.000000 0.000000 0.000000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.568764661121117,
"density_atomic": 0.031001587321516835,
"volume": 32.256412861348686,
"volume_molar": 19.425265866371614,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.08921044,
"energy_per_atom": -3.08921044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.08921044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.979000Z",
"spacegroup": 166
},
{
"id": "mp-1",
"created_at": "2022-09-04T14:46:54.536581Z",
"structure_string": "Cs1\n1.0\n-3.055020 3.055020 3.055020\n3.055020 -3.055020 3.055020\n3.055020 3.055020 -3.055020\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9350390306525629,
"density_atomic": 0.00876794537479071,
"volume": 114.05180544066401,
"volume_molar": 68.68360262958124,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85663276,
"energy_per_atom": -0.85663276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85663276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023078,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.081000Z",
"spacegroup": 229
},
{
"id": "mp-979286",
"created_at": "2022-09-04T14:46:00.044267Z",
"structure_string": "Xe1\n1.0\n3.564170 -3.059918 0.000000\n3.564170 3.059918 0.000000\n0.937162 0.000000 4.603057\nXe\n1\ndirect\n0.500000 0.500000 0.500000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.17143144245685,
"density_atomic": 0.009959910887620821,
"volume": 100.40250472952529,
"volume_molar": 60.4638016137767,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03016646,
"energy_per_atom": -0.03016646,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03016646,
"band_gap": 6.1713000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.249000Z",
"spacegroup": 166
},
{
"id": "mp-1184478",
"created_at": "2022-09-04T14:45:36.684642Z",
"structure_string": "In1\n1.0\n-1.915047 1.915047 1.915047\n1.915047 -1.915047 1.915047\n1.915047 1.915047 -1.915047\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.786733137072897,
"density_atomic": 0.03559604092227124,
"volume": 28.093011865663232,
"volume_molar": 16.918007182737423,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.71684631,
"energy_per_atom": -2.71684631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71684631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.153000Z",
"spacegroup": 229
},
{
"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-1001917",
"created_at": "2022-09-04T14:41:59.476598Z",
"structure_string": "Ho1 As1\n1.0\n3.560890 0.000000 0.000000\n0.000000 3.560890 0.000000\n0.000000 0.000000 3.560890\nHo As\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"As"
],
"chemical_system": "As-Ho",
"density": 8.820975639544885,
"density_atomic": 0.04429496079099793,
"volume": 45.15186297233297,
"volume_molar": 13.595543719781057,
"formula_full": "Ho1 As1",
"formula_reduced": "HoAs",
"formula_anonymous": "AB",
"energy": -11.31483479,
"energy_per_atom": -5.657417395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.31483479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.091000Z",
"spacegroup": 221
},
{
"id": "mp-1001836",
"created_at": "2022-09-04T14:42:40.439379Z",
"structure_string": "Mn1 Ga1\n1.0\n2.715240 0.000000 0.000000\n0.000000 2.715240 0.000000\n0.000000 0.000000 3.638945\nMn Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 7.715923678793903,
"density_atomic": 0.07454835390345348,
"volume": 26.828224840352235,
"volume_molar": 8.078167316476485,
"formula_full": "Mn1 Ga1",
"formula_reduced": "MnGa",
"formula_anonymous": "AB",
"energy": -12.47068297,
"energy_per_atom": -6.235341485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.47068297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4688238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.914000Z",
"spacegroup": 123
},
{
"id": "mp-1038829",
"created_at": "2022-09-04T14:41:59.490194Z",
"structure_string": "Mg1 Cd1\n1.0\n1.613275 -2.794273 0.000000\n1.613275 2.794273 0.000000\n0.000000 0.000000 4.886352\nMg Cd\n1 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.153193589138298,
"density_atomic": 0.045398135065456674,
"volume": 44.05467310752584,
"volume_molar": 13.265172129465363,
"formula_full": "Mg1 Cd1",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -2.63779721,
"energy_per_atom": -1.318898605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.63779721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.105000Z",
"spacegroup": 187
}
]
}