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=id&page=54",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=52",
"results": [
{
"id": "mp-1009732",
"created_at": "2022-09-04T14:41:11.165060Z",
"structure_string": "Rh1 N1\n1.0\n1.465961 -2.539119 0.000000\n1.465961 2.539119 0.000000\n0.000000 0.000000 2.856155\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.333333 0.666667 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 9.13043965518094,
"density_atomic": 0.09406168530433445,
"volume": 21.2626426321094,
"volume_molar": 6.402331343006986,
"formula_full": "Rh1 N1",
"formula_reduced": "RhN",
"formula_anonymous": "AB",
"energy": -13.87941596,
"energy_per_atom": -6.93970798,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.51841596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.436000Z",
"spacegroup": 187
},
{
"id": "mp-1009733",
"created_at": "2022-09-04T14:47:55.746228Z",
"structure_string": "Ca2 Si1\n1.0\n0.000000 3.584411 3.584411\n3.584411 0.000000 3.584411\n3.584411 3.584411 0.000000\nCa Si\n2 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 1.9514593069609545,
"density_atomic": 0.03257150715204097,
"volume": 92.10504094871202,
"volume_molar": 18.488984043290255,
"formula_full": "Ca2 Si1",
"formula_reduced": "Ca2Si",
"formula_anonymous": "AB2",
"energy": -10.69945811,
"energy_per_atom": -3.566486036666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.77045811,
"band_gap": 0.5509000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.315000Z",
"spacegroup": 225
},
{
"id": "mp-1009734",
"created_at": "2022-09-04T14:39:23.132184Z",
"structure_string": "Rh1 N1\n1.0\n0.000000 2.310869 2.310869\n2.310869 0.000000 2.310869\n2.310869 2.310869 0.000000\nRh N\n1 1\ndirect\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rh",
"N"
],
"chemical_system": "N-Rh",
"density": 7.865982120052272,
"density_atomic": 0.08103525818343693,
"volume": 24.680614893243924,
"volume_molar": 7.431506846523365,
"formula_full": "Rh1 N1",
"formula_reduced": "RhN",
"formula_anonymous": "AB",
"energy": -15.03139511,
"energy_per_atom": -7.515697555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.67039511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.44e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.141000Z",
"spacegroup": 216
},
{
"id": "mp-1009735",
"created_at": "2022-09-04T14:43:59.307281Z",
"structure_string": "Re1 C1\n1.0\n1.443227 -2.499743 0.000000\n1.443227 2.499743 0.000000\n0.000000 0.000000 2.824472\nRe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 16.15080801019541,
"density_atomic": 0.09813698701856,
"volume": 20.379676009634913,
"volume_molar": 6.1364638786608285,
"formula_full": "Re1 C1",
"formula_reduced": "ReC",
"formula_anonymous": "AB",
"energy": -21.1859564,
"energy_per_atom": -10.5929782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.1859564,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.788000Z",
"spacegroup": 187
},
{
"id": "mp-1009746",
"created_at": "2022-09-04T14:46:09.956357Z",
"structure_string": "Sc1 P1\n1.0\n0.000000 2.967240 2.967240\n2.967240 0.000000 2.967240\n2.967240 2.967240 0.000000\nSc P\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"P"
],
"chemical_system": "P-Sc",
"density": 2.4130849576224254,
"density_atomic": 0.03827735987820205,
"volume": 52.250207599582836,
"volume_molar": 15.732905245195477,
"formula_full": "Sc1 P1",
"formula_reduced": "ScP",
"formula_anonymous": "AB",
"energy": -13.66505183,
"energy_per_atom": -6.832525915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.66505183,
"band_gap": 1.6192999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.458000Z",
"spacegroup": 216
},
{
"id": "mp-1009747",
"created_at": "2022-09-04T14:48:08.250001Z",
"structure_string": "Sc1 Sn1\n1.0\n0.000000 3.343956 3.343956\n3.343956 0.000000 3.343956\n3.343956 3.343956 0.000000\nSc Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Sn"
],
"chemical_system": "Sc-Sn",
"density": 3.634089958705802,
"density_atomic": 0.02674350572572732,
"volume": 74.78451107013973,
"volume_molar": 22.518142616607985,
"formula_full": "Sc1 Sn1",
"formula_reduced": "ScSn",
"formula_anonymous": "AB",
"energy": -9.5165285,
"energy_per_atom": -4.75826425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.5165285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.247000Z",
"spacegroup": 216
},
{
"id": "mp-1009748",
"created_at": "2022-09-04T14:40:52.996081Z",
"structure_string": "Sc1 C1\n1.0\n2.879077 0.000000 0.000000\n0.000000 2.879077 0.000000\n0.000000 0.000000 2.879077\nSc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.9637809709395087,
"density_atomic": 0.08380504340702694,
"volume": 23.86491216628023,
"volume_molar": 7.185893014518803,
"formula_full": "Sc1 C1",
"formula_reduced": "ScC",
"formula_anonymous": "AB",
"energy": -14.77392696,
"energy_per_atom": -7.38696348,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.77392696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0723385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.553000Z",
"spacegroup": 221
},
{
"id": "mp-1009750",
"created_at": "2022-09-04T14:43:24.699582Z",
"structure_string": "Sc1 N1\n1.0\n0.000000 2.447805 2.447805\n2.447805 0.000000 2.447805\n2.447805 2.447805 0.000000\nSc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"N"
],
"chemical_system": "N-Sc",
"density": 3.337838835388863,
"density_atomic": 0.06818197032333866,
"volume": 29.33326787881636,
"volume_molar": 8.832453405850938,
"formula_full": "Sc1 N1",
"formula_reduced": "ScN",
"formula_anonymous": "AB",
"energy": -18.24878893,
"energy_per_atom": -9.124394465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.88778893,
"band_gap": 2.4152,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.813000Z",
"spacegroup": 216
},
{
"id": "mp-1009751",
"created_at": "2022-09-04T14:39:32.897839Z",
"structure_string": "Sc1 C1\n1.0\n0.000000 2.555707 2.555707\n2.555707 0.000000 2.555707\n2.555707 2.555707 0.000000\nSc C\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 2.8333896659072995,
"density_atomic": 0.05990551589032454,
"volume": 33.38590729544195,
"volume_molar": 10.052731656673117,
"formula_full": "Sc1 C1",
"formula_reduced": "ScC",
"formula_anonymous": "AB",
"energy": -14.61028484,
"energy_per_atom": -7.30514242,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.61028484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.478000Z",
"spacegroup": 216
},
{
"id": "mp-1009752",
"created_at": "2022-09-04T14:40:35.161480Z",
"structure_string": "Sc1 Si1\n1.0\n0.000000 3.087512 3.087512\n3.087512 0.000000 3.087512\n3.087512 3.087512 0.000000\nSc Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Si"
],
"chemical_system": "Sc-Si",
"density": 2.0604510398570386,
"density_atomic": 0.03397613998862867,
"volume": 58.86483869766759,
"volume_molar": 17.72461722260246,
"formula_full": "Sc1 Si1",
"formula_reduced": "ScSi",
"formula_anonymous": "AB",
"energy": -10.70332481,
"energy_per_atom": -5.351662405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.77432481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.071000Z",
"spacegroup": 216
},
{
"id": "mp-1009753",
"created_at": "2022-09-04T14:42:59.806163Z",
"structure_string": "Sc1 Ge1\n1.0\n0.000000 3.113500 3.113500\n3.113500 0.000000 3.113500\n3.113500 3.113500 0.000000\nSc Ge\n1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Ge"
],
"chemical_system": "Ge-Sc",
"density": 3.2349287240932387,
"density_atomic": 0.03313243768505996,
"volume": 60.363804770750015,
"volume_molar": 18.175966456930805,
"formula_full": "Sc1 Ge1",
"formula_reduced": "ScGe",
"formula_anonymous": "AB",
"energy": -10.45199124,
"energy_per_atom": -5.22599562,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.45199124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001791,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.124000Z",
"spacegroup": 216
},
{
"id": "mp-1009755",
"created_at": "2022-09-04T14:40:55.445713Z",
"structure_string": "Ca2 Ge1\n1.0\n0.000000 3.609688 3.609688\n3.609688 0.000000 3.609688\n3.609688 3.609688 0.000000\nCa Ge\n2 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 2.6972555155768045,
"density_atomic": 0.03189203719882041,
"volume": 94.06736801721028,
"volume_molar": 18.88289770407875,
"formula_full": "Ca2 Ge1",
"formula_reduced": "Ca2Ge",
"formula_anonymous": "AB2",
"energy": -10.42849188,
"energy_per_atom": -3.4761639599999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.42849188,
"band_gap": 0.5756000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.111000Z",
"spacegroup": 225
}
]
}