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=formula_anonymous&page=50",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=48",
"results": [
{
"id": "mp-570747",
"created_at": "2022-09-04T14:41:08.844775Z",
"structure_string": "N4\n1.0\n4.061881 0.000000 0.000000\n0.000000 4.061881 0.000000\n0.000000 0.000000 5.338196\nN\n4\ndirect\n0.903123 0.903123 0.000000 N\n0.596877 0.403123 0.500000 N\n0.096877 0.096877 0.000000 N\n0.403123 0.596877 0.500000 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.0563212303584673,
"density_atomic": 0.04541623036970457,
"volume": 88.074240584006,
"volume_molar": 13.259886853174718,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -33.31661044,
"energy_per_atom": -8.32915261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.31661044,
"band_gap": 6.739,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001172,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.798000Z",
"spacegroup": 136
},
{
"id": "mp-1221597",
"created_at": "2022-09-04T14:44:20.720634Z",
"structure_string": "Na6\n1.0\n-5.961352 0.000000 -5.961352\n5.961352 -5.961352 0.000000\n-5.961352 -5.961352 0.000000\nNa\n6\ndirect\n0.500000 0.250000 0.250000 Na\n0.500000 0.750000 0.750000 Na\n0.796385 0.398193 0.805422 Na\n0.203615 0.398193 0.398193 Na\n0.203615 0.805422 0.398193 Na\n0.796385 0.398193 0.398193 Na\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.5405933087459964,
"density_atomic": 0.01416077282315193,
"volume": 423.7056885899896,
"volume_molar": 42.526921625027384,
"formula_full": "Na6",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -5.47045194,
"energy_per_atom": -0.91174199,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.47045194,
"band_gap": 0.2698,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.157000Z",
"spacegroup": 216
},
{
"id": "mp-611836",
"created_at": "2022-09-04T14:39:49.289164Z",
"structure_string": "O2\n1.0\n1.766737 2.797827 0.000000\n-1.766737 2.797827 0.000000\n0.000000 2.076469 3.735489\nO\n2\ndirect\n0.951806 0.951806 0.163979 O\n0.048194 0.048194 0.836021 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.4388402246389522,
"density_atomic": 0.054157645704965146,
"volume": 36.92922714726946,
"volume_molar": 11.119650201943497,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.87598179,
"energy_per_atom": -4.937990895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.87598179,
"band_gap": 1.3523000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996063,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.345000Z",
"spacegroup": 12
},
{
"id": "mp-129",
"created_at": "2022-09-04T14:42:41.637494Z",
"structure_string": "Mo1\n1.0\n-1.583809 1.583809 1.583809\n1.583809 -1.583809 1.583809\n1.583809 1.583809 -1.583809\nMo\n1\ndirect\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 10.02490811516209,
"density_atomic": 0.06292621200378933,
"volume": 15.891628753050979,
"volume_molar": 9.570162525653629,
"formula_full": "Mo1",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -10.84564303,
"energy_per_atom": -10.84564303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.84564303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.099000Z",
"spacegroup": 229
},
{
"id": "mp-137",
"created_at": "2022-09-04T14:39:17.941879Z",
"structure_string": "Ge12\n1.0\n6.026650 0.000000 0.000000\n0.000000 6.026650 0.000000\n0.000000 0.000000 7.105868\nGe\n12\ndirect\n0.087648 0.087648 0.000000 Ge\n0.412352 0.587648 0.750000 Ge\n0.587648 0.412352 0.250000 Ge\n0.912352 0.912352 0.500000 Ge\n0.171399 0.370395 0.253228 Ge\n0.129605 0.671399 0.003228 Ge\n0.870395 0.328601 0.503228 Ge\n0.671399 0.129605 0.996772 Ge\n0.328601 0.870395 0.496772 Ge\n0.828601 0.629605 0.753228 Ge\n0.370395 0.171399 0.746772 Ge\n0.629605 0.828601 0.246772 Ge\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.608375747078466,
"density_atomic": 0.04649563352911399,
"volume": 258.0887513337356,
"volume_molar": 12.952056575869946,
"formula_full": "Ge12",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -53.68365537999999,
"energy_per_atom": -4.473637948333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.68365537999999,
"band_gap": 0.3433000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0044362,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.185000Z",
"spacegroup": 96
},
{
"id": "mp-4",
"created_at": "2022-09-04T14:45:56.396145Z",
"structure_string": "Nd1\n1.0\n-2.066667 2.066667 2.066667\n2.066667 -2.066667 2.066667\n2.066667 2.066667 -2.066667\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.783742073945273,
"density_atomic": 0.028322298403343386,
"volume": 35.307868936299045,
"volume_molar": 21.262895667002432,
"formula_full": "Nd1",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -4.62818377,
"energy_per_atom": -4.62818377,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.62818377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5567615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.846000Z",
"spacegroup": 229
},
{
"id": "mp-542909",
"created_at": "2022-09-04T14:41:55.208597Z",
"structure_string": "Mn20\n1.0\n6.028121 0.000000 0.000000\n0.000000 6.028121 0.000000\n0.000000 0.000000 6.028121\nMn\n20\ndirect\n0.053358 0.053358 0.053358 Mn\n0.303358 0.196642 0.803358 Mn\n0.803358 0.303358 0.196642 Mn\n0.196642 0.803358 0.303358 Mn\n0.446642 0.946642 0.553358 Mn\n0.553358 0.446642 0.946642 Mn\n0.946642 0.553358 0.446642 Mn\n0.696642 0.696642 0.696642 Mn\n0.125000 0.197057 0.447057 Mn\n0.375000 0.802943 0.947057 Mn\n0.875000 0.697057 0.052943 Mn\n0.197057 0.447057 0.125000 Mn\n0.802943 0.947057 0.375000 Mn\n0.052943 0.875000 0.697057 Mn\n0.447057 0.125000 0.197057 Mn\n0.302943 0.552943 0.625000 Mn\n0.947057 0.375000 0.802943 Mn\n0.552943 0.625000 0.302943 Mn\n0.697057 0.052943 0.875000 Mn\n0.625000 0.302943 0.552943 Mn\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 8.32925983772251,
"density_atomic": 0.09130280334277263,
"volume": 219.0513244693616,
"volume_molar": 6.595789548094639,
"formula_full": "Mn20",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -182.18136604,
"energy_per_atom": -9.109068302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.18136604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6165077,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.277000Z",
"spacegroup": 213
},
{
"id": "mp-30",
"created_at": "2022-09-04T14:43:33.698594Z",
"structure_string": "Cu1\n1.0\n0.000000 1.810631 1.810631\n1.810631 0.000000 1.810631\n1.810631 1.810631 0.000000\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.888274633075854,
"density_atomic": 0.08423258894724725,
"volume": 11.871889639130941,
"volume_molar": 7.149419049403213,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -4.09920667,
"energy_per_atom": -4.09920667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.09920667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.758000Z",
"spacegroup": 225
},
{
"id": "mp-571261",
"created_at": "2022-09-04T14:47:55.396211Z",
"structure_string": "Pu2\n1.0\n0.000000 2.806491 3.538963\n1.792768 0.000000 3.538963\n1.792768 2.806491 0.000000\nPu\n2\ndirect\n0.250000 0.250000 0.250000 Pu\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 22.754911785635407,
"density_atomic": 0.056161181066325866,
"volume": 35.611786683011836,
"volume_molar": 10.722959606009539,
"formula_full": "Pu2",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -28.53567666,
"energy_per_atom": -14.26783833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.53567666,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.555000Z",
"spacegroup": 70
},
{
"id": "mp-1009490",
"created_at": "2022-09-04T14:45:20.147462Z",
"structure_string": "O2\n1.0\n2.364873 2.362370 0.000000\n-2.364873 2.362370 0.000000\n0.000000 2.006947 4.167954\nO\n2\ndirect\n0.937265 0.937265 0.147913 O\n0.062735 0.062735 0.852087 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.1409697618155776,
"density_atomic": 0.042945863663209745,
"volume": 46.57025914496468,
"volume_molar": 14.022632790032727,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.89248683,
"energy_per_atom": -4.946243415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.89248683,
"band_gap": 1.6288,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9990628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.049000Z",
"spacegroup": 12
},
{
"id": "mp-9924",
"created_at": "2022-09-04T14:47:03.395430Z",
"structure_string": "Te1\n1.0\n1.507200 -4.327025 0.000000\n1.507200 4.327025 0.000000\n0.000000 0.000000 2.989988\nTe\n1\ndirect\n0.500000 0.500000 0.000000 Te\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 5.433004202924278,
"density_atomic": 0.025641313535257337,
"volume": 38.99956211779008,
"volume_molar": 23.486085265169557,
"formula_full": "Te1",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -3.01589919,
"energy_per_atom": -3.01589919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01589919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001566,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.897000Z",
"spacegroup": 65
},
{
"id": "mp-567597",
"created_at": "2022-09-04T14:39:58.656232Z",
"structure_string": "Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.853005953205109,
"density_atomic": 0.028393183657330765,
"volume": 35.21972076357181,
"volume_molar": 21.20981159661241,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -3.84048913,
"energy_per_atom": -3.84048913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84048913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000492,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.383000Z",
"spacegroup": 221
}
]
}