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=elements&page=36",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=34",
"results": [
{
"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-567772",
"created_at": "2022-09-04T14:46:58.305781Z",
"structure_string": "Na8\n1.0\n-4.193878 4.193878 4.193878\n4.193878 -4.193878 4.193878\n4.193878 4.193878 -4.193878\nNa\n8\ndirect\n0.500000 0.000000 0.446984 Na\n0.446984 0.500000 0.000000 Na\n0.000000 0.946984 0.500000 Na\n0.946984 0.500000 0.000000 Na\n0.000000 0.446984 0.500000 Na\n0.500000 0.000000 0.946984 Na\n0.553016 0.553016 0.553016 Na\n0.053016 0.053016 0.053016 Na\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.035061912263127,
"density_atomic": 0.027113314871498408,
"volume": 295.0579830579706,
"volume_molar": 22.21100882920993,
"formula_full": "Na8",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -10.47637763,
"energy_per_atom": -1.30954720375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.47637763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.918000Z",
"spacegroup": 220
},
{
"id": "mp-1186081",
"created_at": "2022-09-04T14:42:59.947415Z",
"structure_string": "Na29\n1.0\n-6.510913 6.510913 6.510913\n6.510913 -6.510913 6.510913\n6.510913 6.510913 -6.510913\nNa\n29\ndirect\n0.000000 0.000000 0.000000 Na\n0.635887 0.000000 0.000000 Na\n0.373004 0.189566 0.000000 Na\n0.189566 0.373004 0.000000 Na\n0.682170 0.403870 0.000000 Na\n0.000000 0.635887 0.000000 Na\n0.403870 0.682169 0.000000 Na\n0.810434 0.810434 0.183438 Na\n0.373004 0.000000 0.189566 Na\n0.000000 0.373004 0.189566 Na\n0.596130 0.596130 0.278300 Na\n0.721700 0.317830 0.317830 Na\n0.317830 0.721700 0.317830 Na\n0.364113 0.364113 0.364113 Na\n0.189566 0.000000 0.373004 Na\n0.000000 0.189566 0.373004 Na\n0.682170 0.000000 0.403870 Na\n0.000000 0.682170 0.403870 Na\n0.596130 0.278300 0.596130 Na\n0.278300 0.596130 0.596130 Na\n0.816562 0.626996 0.626996 Na\n0.626996 0.816562 0.626996 Na\n0.000000 0.000000 0.635887 Na\n0.403870 0.000000 0.682170 Na\n0.000000 0.403870 0.682170 Na\n0.317830 0.317830 0.721700 Na\n0.810434 0.183438 0.810434 Na\n0.183438 0.810434 0.810434 Na\n0.626996 0.626996 0.816562 Na\n",
"nsites": 29,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.002757779700991,
"density_atomic": 0.02626711223624468,
"volume": 1104.0421854970546,
"volume_molar": 22.92654291738377,
"formula_full": "Na29",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -38.35323351,
"energy_per_atom": -1.3225252934482759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.35323351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.133000Z",
"spacegroup": 217
},
{
"id": "mp-982370",
"created_at": "2022-09-04T14:42:51.246465Z",
"structure_string": "Na4\n1.0\n1.864946 -3.230182 0.000000\n1.864946 3.230182 0.000000\n0.000000 0.000000 11.964779\nNa\n4\ndirect\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.750000 Na\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 1.0592921911493403,
"density_atomic": 0.027748023938736415,
"volume": 144.1544092952859,
"volume_molar": 21.702953598771604,
"formula_full": "Na4",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -5.24271159,
"energy_per_atom": -1.3106778975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.24271159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.136000Z",
"spacegroup": 194
},
{
"id": "mp-1104341",
"created_at": "2022-09-04T14:45:04.676028Z",
"structure_string": "Nb7\n1.0\n2.781142 0.000000 0.000000\n0.160935 4.669230 0.000000\n0.759371 1.897759 9.740952\nNb\n7\ndirect\n0.647497 0.217785 0.571249 Nb\n0.352503 0.782215 0.428751 Nb\n0.939237 0.650438 0.713601 Nb\n0.060763 0.349562 0.286399 Nb\n0.223209 0.077630 0.856669 Nb\n0.776791 0.922370 0.143331 Nb\n0.500000 0.500000 0.000000 Nb\n",
"nsites": 7,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.537345194804299,
"density_atomic": 0.05533860483810518,
"volume": 126.49397324848934,
"volume_molar": 10.882350174201106,
"formula_full": "Nb7",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -70.54664182,
"energy_per_atom": -10.07809168857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.54664182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0433282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.280000Z",
"spacegroup": 12
},
{
"id": "mp-8636",
"created_at": "2022-09-04T14:43:53.594815Z",
"structure_string": "Nb1\n1.0\n0.000000 2.115513 2.115513\n2.115513 0.000000 2.115513\n2.115513 2.115513 0.000000\nNb\n1\ndirect\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.147371978526298,
"density_atomic": 0.05281081976901989,
"volume": 18.93551367643462,
"volume_molar": 11.403232872239439,
"formula_full": "Nb1",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -9.78114088,
"energy_per_atom": -9.78114088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.78114088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.930000Z",
"spacegroup": 225
},
{
"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-1094120",
"created_at": "2022-09-04T14:48:26.115343Z",
"structure_string": "Nb12\n1.0\n5.374343 0.000000 0.000000\n-1.516425 6.770262 0.000000\n-2.292508 -2.725628 6.234305\nNb\n12\ndirect\n0.069490 0.140393 0.503316 Nb\n0.509667 0.212573 0.340606 Nb\n0.072719 0.731441 0.133756 Nb\n0.046112 0.405816 0.262338 Nb\n0.024193 0.983918 0.882255 Nb\n0.596368 0.925967 0.050041 Nb\n0.683872 0.720414 0.393695 Nb\n0.054694 0.564241 0.697763 Nb\n0.553340 0.563811 0.699148 Nb\n0.428080 0.395001 0.998307 Nb\n0.771339 0.251176 0.789395 Nb\n0.336504 0.880067 0.604147 Nb\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Nb"
],
"chemical_system": "Nb",
"density": 8.161255619756384,
"density_atomic": 0.052900812772490494,
"volume": 226.83961495276392,
"volume_molar": 11.383834093247875,
"formula_full": "Nb12",
"formula_reduced": "Nb",
"formula_anonymous": "A",
"energy": -118.93868106,
"energy_per_atom": -9.911556755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.93868106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.583000Z",
"spacegroup": 1
},
{
"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-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-159",
"created_at": "2022-09-04T14:47:11.827059Z",
"structure_string": "Nd1\n1.0\n0.000000 2.607924 2.607924\n2.607924 0.000000 2.607924\n2.607924 2.607924 0.000000\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.751900663186124,
"density_atomic": 0.028189359690863777,
"volume": 35.47437795559797,
"volume_molar": 21.3631697422052,
"formula_full": "Nd1",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -4.75913303,
"energy_per_atom": -4.75913303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.75913303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003862,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.223000Z",
"spacegroup": 225
},
{
"id": "mp-123",
"created_at": "2022-09-04T14:45:43.137821Z",
"structure_string": "Nd4\n1.0\n1.853540 -3.210425 0.000000\n1.853540 3.210425 0.000000\n0.000000 0.000000 11.910868\nNd\n4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.758696200879876,
"density_atomic": 0.02821773123628453,
"volume": 141.75484083059422,
"volume_molar": 21.341690122330842,
"formula_full": "Nd4",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -19.07257284,
"energy_per_atom": -4.76814321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.07257284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0245764,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:18.999000Z",
"spacegroup": 194
}
]
}