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=40",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=38",
"results": [
{
"id": "mp-1008755",
"created_at": "2022-09-04T14:39:26.443584Z",
"structure_string": "Sr1 B2\n1.0\n1.660447 -2.875979 0.000000\n1.660447 2.875979 0.000000\n0.000000 0.000000 4.407707\nSr B\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"B"
],
"chemical_system": "B-Sr",
"density": 4.309087358469546,
"density_atomic": 0.07126360913057596,
"volume": 42.09722236356448,
"volume_molar": 8.450513289280172,
"formula_full": "Sr1 B2",
"formula_reduced": "SrB2",
"formula_anonymous": "AB2",
"energy": -14.50154096,
"energy_per_atom": -4.833846986666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.50154096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.356000Z",
"spacegroup": 191
},
{
"id": "mp-1008762",
"created_at": "2022-09-04T14:47:26.615541Z",
"structure_string": "Ta1 N2\n1.0\n1.557739 -2.698084 0.000000\n1.557739 2.698084 0.000000\n0.000000 0.000000 3.793770\nTa N\n1 2\ndirect\n0.666667 0.333333 0.500000 Ta\n0.000000 0.000000 0.815636 N\n0.000000 0.000000 0.184364 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 10.88087357023235,
"density_atomic": 0.09407410634307092,
"volume": 31.889752840803535,
"volume_molar": 6.401486013630958,
"formula_full": "Ta1 N2",
"formula_reduced": "TaN2",
"formula_anonymous": "AB2",
"energy": -30.57596551,
"energy_per_atom": -10.191988503333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.85396551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1466228,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.564000Z",
"spacegroup": 187
},
{
"id": "mp-1008776",
"created_at": "2022-09-04T14:41:56.446199Z",
"structure_string": "Sr1 C2\n1.0\n2.726353 -2.517326 0.000000\n2.726353 2.517326 0.000000\n0.402029 0.000000 3.688943\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.591558 0.591558 0.591558 C\n0.408442 0.408442 0.408442 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"C"
],
"chemical_system": "C-Sr",
"density": 3.661178331376194,
"density_atomic": 0.059247191274819366,
"volume": 50.63531174135219,
"volume_molar": 10.164432491096788,
"formula_full": "Sr1 C2",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
"energy": -19.64015419,
"energy_per_atom": -6.5467180633333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.64015419,
"band_gap": 1.7975,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.588000Z",
"spacegroup": 166
},
{
"id": "mp-1008777",
"created_at": "2022-09-04T14:44:13.754749Z",
"structure_string": "Sm1 Hg2\n1.0\n2.721517 -4.713806 0.000000\n2.721517 4.713806 0.000000\n0.000000 0.000000 3.418864\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.945104 Hg\n0.333333 0.666667 0.054896 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 10.44074610918181,
"density_atomic": 0.03420004499980618,
"volume": 87.71918282613376,
"volume_molar": 17.608575544371735,
"formula_full": "Sm1 Hg2",
"formula_reduced": "SmHg2",
"formula_anonymous": "AB2",
"energy": -5.60071079,
"energy_per_atom": -1.8669035966666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.60071079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058894,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.962000Z",
"spacegroup": 164
},
{
"id": "mp-1008785",
"created_at": "2022-09-04T14:45:41.256297Z",
"structure_string": "Ru1 O2\n1.0\n0.000000 2.428586 2.428586\n2.428586 0.000000 2.428586\n2.428586 2.428586 0.000000\nRu O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ru\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ru",
"O"
],
"chemical_system": "O-Ru",
"density": 7.713205120800527,
"density_atomic": 0.1047202807065196,
"volume": 28.647745973939394,
"volume_molar": 5.750691957059544,
"formula_full": "Ru1 O2",
"formula_reduced": "RuO2",
"formula_anonymous": "AB2",
"energy": -22.97913403,
"energy_per_atom": -7.659711343333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.60513403,
"band_gap": 0.6072000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.996000Z",
"spacegroup": 225
},
{
"id": "mp-1008786",
"created_at": "2022-09-04T14:43:08.093719Z",
"structure_string": "Mg1 Te1\n1.0\n0.000000 2.989566 2.989566\n2.989566 0.000000 2.989566\n2.989566 2.989566 0.000000\nMg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Te"
],
"chemical_system": "Mg-Te",
"density": 4.720268834151547,
"density_atomic": 0.0374261852527898,
"volume": 53.43852135854314,
"volume_molar": 16.090714881370662,
"formula_full": "Mg1 Te1",
"formula_reduced": "MgTe",
"formula_anonymous": "AB",
"energy": -6.786017429999999,
"energy_per_atom": -3.3930087149999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36401743,
"band_gap": 0.4271000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.166000Z",
"spacegroup": 225
},
{
"id": "mp-1008798",
"created_at": "2022-09-04T14:40:32.049793Z",
"structure_string": "Re1 N2\n1.0\n1.453872 -2.518180 0.000000\n1.453872 2.518180 0.000000\n0.000000 0.000000 3.934555\nRe N\n1 2\ndirect\n0.666667 0.333333 0.500000 Re\n0.000000 0.000000 0.828120 N\n0.000000 0.000000 0.171880 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Re",
"N"
],
"chemical_system": "N-Re",
"density": 12.347281917327493,
"density_atomic": 0.10413163695228614,
"volume": 28.809688273455468,
"volume_molar": 5.78319993448234,
"formula_full": "Re1 N2",
"formula_reduced": "ReN2",
"formula_anonymous": "AB2",
"energy": -28.66749395,
"energy_per_atom": -9.555831316666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.94549395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038235,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.672000Z",
"spacegroup": 187
},
{
"id": "mp-1008802",
"created_at": "2022-09-04T14:47:23.454067Z",
"structure_string": "Re1 C2\n1.0\n2.688369 0.000000 0.000000\n0.000000 2.688369 0.000000\n0.000000 0.000000 3.848486\nRe C\n1 2\ndirect\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.815930 C\n0.000000 0.000000 0.184070 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 12.550840595415478,
"density_atomic": 0.10785830375158742,
"volume": 27.814270164209283,
"volume_molar": 5.583381668851221,
"formula_full": "Re1 C2",
"formula_reduced": "ReC2",
"formula_anonymous": "AB2",
"energy": -28.21151091,
"energy_per_atom": -9.40383697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.21151091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021127,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.955000Z",
"spacegroup": 123
},
{
"id": "mp-1008805",
"created_at": "2022-09-04T14:39:26.582892Z",
"structure_string": "Re1 C2\n1.0\n1.439956 -2.494076 0.000000\n1.439956 2.494076 0.000000\n0.000000 0.000000 4.063497\nRe C\n1 2\ndirect\n0.666667 0.333333 0.500000 Re\n0.000000 0.000000 0.829262 C\n0.000000 0.000000 0.170738 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 11.960563422508114,
"density_atomic": 0.102785631994739,
"volume": 29.18695873907311,
"volume_molar": 5.858932462767012,
"formula_full": "Re1 C2",
"formula_reduced": "ReC2",
"formula_anonymous": "AB2",
"energy": -29.505831290000003,
"energy_per_atom": -9.835277096666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.505831290000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052208,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.597000Z",
"spacegroup": 187
},
{
"id": "mp-1008806",
"created_at": "2022-09-04T14:46:58.787767Z",
"structure_string": "Re1 C2\n1.0\n-1.390427 1.390427 3.368838\n1.390427 -1.390427 3.368838\n1.390427 1.390427 -3.368838\nRe C\n1 2\ndirect\n0.000000 0.000000 0.000000 Re\n0.666529 0.666529 0.000000 C\n0.333471 0.333471 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Re",
"C"
],
"chemical_system": "C-Re",
"density": 13.399974714474334,
"density_atomic": 0.11515551743564463,
"volume": 26.051726107492577,
"volume_molar": 5.229572055342906,
"formula_full": "Re1 C2",
"formula_reduced": "ReC2",
"formula_anonymous": "AB2",
"energy": -26.35505247,
"energy_per_atom": -8.78501749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.35505247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.511000Z",
"spacegroup": 139
},
{
"id": "mp-1008807",
"created_at": "2022-09-04T14:44:52.866099Z",
"structure_string": "Rb1 Cu1 O1\n1.0\n0.000000 3.059354 3.059354\n3.059354 0.000000 3.059354\n3.059354 3.059354 0.000000\nRb Cu O\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Rb",
"density": 4.784632555323565,
"density_atomic": 0.05238441059805107,
"volume": 57.26894634778258,
"volume_molar": 11.496055202774487,
"formula_full": "Rb1 Cu1 O1",
"formula_reduced": "RbCuO",
"formula_anonymous": "ABC",
"energy": -10.59931415,
"energy_per_atom": -3.5331047166666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.91231415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.234000Z",
"spacegroup": 216
},
{
"id": "mp-1008809",
"created_at": "2022-09-04T14:46:52.303755Z",
"structure_string": "Pt1 N2\n1.0\n1.607513 -2.784295 0.000000\n1.607513 2.784295 0.000000\n0.000000 0.000000 3.917212\nPt N\n1 2\ndirect\n0.333333 0.666667 0.500000 Pt\n0.666667 0.333333 0.847003 N\n0.666667 0.333333 0.152997 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pt",
"N"
],
"chemical_system": "N-Pt",
"density": 10.564934120882995,
"density_atomic": 0.08555481204810704,
"volume": 35.06523979402953,
"volume_molar": 7.038926994093309,
"formula_full": "Pt1 N2",
"formula_reduced": "PtN2",
"formula_anonymous": "AB2",
"energy": -20.69718033,
"energy_per_atom": -6.89906011,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.97518033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.419000Z",
"spacegroup": 187
}
]
}