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=10",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=8",
"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-979285",
"created_at": "2022-09-04T14:44:54.025207Z",
"structure_string": "Xe1\n1.0\n-2.947942 2.947942 2.947942\n2.947942 -2.947942 2.947942\n2.947942 2.947942 -2.947942\nXe\n1\ndirect\n0.000000 0.000000 0.000000 Xe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.127521091102082,
"density_atomic": 0.00975850310748719,
"volume": 102.47473295702005,
"volume_molar": 61.71172662105858,
"formula_full": "Xe1",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.03423668,
"energy_per_atom": -0.03423668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.03423668,
"band_gap": 6.236800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.647000Z",
"spacegroup": 229
},
{
"id": "mp-614502",
"created_at": "2022-09-04T14:45:16.611696Z",
"structure_string": "Gd1\n1.0\n0.000000 2.521600 2.521600\n2.521600 0.000000 2.521600\n2.521600 2.521600 0.000000\nGd\n1\ndirect\n0.000000 0.000000 0.000000 Gd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 8.14293875720926,
"density_atomic": 0.031184688974829945,
"volume": 32.067018555391996,
"volume_molar": 19.311209949410244,
"formula_full": "Gd1",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -14.02770758,
"energy_per_atom": -14.02770758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.02770758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4492425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.128000Z",
"spacegroup": 225
},
{
"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-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-1096915",
"created_at": "2022-09-04T14:46:20.236845Z",
"structure_string": "Cs1\n1.0\n4.338132 3.019011 0.000000\n-4.338132 3.019011 0.000000\n0.000000 2.574936 4.413887\nCs\n1\ndirect\n0.000000 0.000000 0.500000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9088562740358759,
"density_atomic": 0.008649307468195548,
"volume": 115.61619281972685,
"volume_molar": 69.62569872956963,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85319385,
"energy_per_atom": -0.85319385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85319385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.928000Z",
"spacegroup": 12
},
{
"id": "mp-1076920",
"created_at": "2022-09-04T14:44:23.994667Z",
"structure_string": "U1\n1.0\n1.433069 -2.482148 0.000000\n1.433069 2.482148 0.000000\n0.000000 0.000000 2.832045\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.617961832382314,
"density_atomic": 0.04963352040713929,
"volume": 20.147674228970466,
"volume_molar": 12.13321301934846,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.90615872,
"energy_per_atom": -10.90615872,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.90615872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.155000Z",
"spacegroup": 191
},
{
"id": "mp-568345",
"created_at": "2022-09-04T14:46:35.558540Z",
"structure_string": "Fe1\n1.0\n2.375663 0.000000 0.000000\n0.000000 2.375663 0.000000\n0.000000 0.000000 2.375663\nFe\n1\ndirect\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 6.916380718764021,
"density_atomic": 0.0745839703689511,
"volume": 13.407706710345558,
"volume_molar": 8.07430970784975,
"formula_full": "Fe1",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -7.70860905,
"energy_per_atom": -7.70860905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.70860905,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4121917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.812000Z",
"spacegroup": 221
},
{
"id": "mp-601148",
"created_at": "2022-09-04T14:43:09.869039Z",
"structure_string": "I1\n1.0\n-1.617456 1.617456 4.264808\n1.617456 -1.617456 4.264808\n1.617456 1.617456 -4.264808\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.721734801160363,
"density_atomic": 0.022406580015506803,
"volume": 44.6297471237438,
"volume_molar": 26.876661926239027,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.3921211,
"energy_per_atom": -1.3921211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.3921211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011958,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.155000Z",
"spacegroup": 139
},
{
"id": "mp-108",
"created_at": "2022-09-04T14:41:08.150478Z",
"structure_string": "U1\n1.0\n-1.716436 1.716436 1.716436\n1.716436 -1.716436 1.716436\n1.716436 1.716436 -1.716436\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.540513392390526,
"density_atomic": 0.04943757555009057,
"volume": 20.227529138980362,
"volume_molar": 12.181302770194137,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -11.02285917,
"energy_per_atom": -11.02285917,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.02285917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035433,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.082000Z",
"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-10683",
"created_at": "2022-09-04T14:48:11.922845Z",
"structure_string": "Ca1\n1.0\n3.521797 0.000000 0.000000\n0.000000 3.521797 0.000000\n0.000000 0.000000 3.521797\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5235691872633743,
"density_atomic": 0.022893228470656158,
"volume": 43.68103875264992,
"volume_molar": 26.30533639114726,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.60598638,
"energy_per_atom": -1.60598638,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.60598638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022966,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.961000Z",
"spacegroup": 221
}
]
}