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=81",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=79",
"results": [
{
"id": "mp-16731",
"created_at": "2022-09-04T14:42:45.814026Z",
"structure_string": "Y1 P1\n1.0\n3.478940 0.000000 0.000000\n0.000000 3.478940 0.000000\n0.000000 0.000000 3.478940\nY P\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"P"
],
"chemical_system": "P-Y",
"density": 4.727740275775836,
"density_atomic": 0.0474995154760466,
"volume": 42.10569265719299,
"volume_molar": 12.678320398945731,
"formula_full": "Y1 P1",
"formula_reduced": "YP",
"formula_anonymous": "AB",
"energy": -14.02946261,
"energy_per_atom": -7.014731305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.02946261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003703,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.523000Z",
"spacegroup": 221
},
{
"id": "mp-1183964",
"created_at": "2022-09-04T14:42:54.896376Z",
"structure_string": "Cs1 Pm1\n1.0\n7.776451 -1.943650 0.000000\n7.776451 1.943650 0.000000\n7.290654 0.000000 3.331265\nCs Pm\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Pm\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Pm"
],
"chemical_system": "Cs-Pm",
"density": 4.582552869432165,
"density_atomic": 0.019860552026398918,
"volume": 100.70213543619396,
"volume_molar": 30.322121721467198,
"formula_full": "Cs1 Pm1",
"formula_reduced": "CsPm",
"formula_anonymous": "AB",
"energy": -4.3188077,
"energy_per_atom": -2.15940385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.3188077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.539000Z",
"spacegroup": 166
},
{
"id": "mp-1220318",
"created_at": "2022-09-04T14:42:55.231918Z",
"structure_string": "Nb1 H1\n1.0\n-1.606964 1.606964 -1.984301\n1.606964 -1.606964 -1.984301\n-1.606964 -1.606964 -1.984301\nNb H\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.000000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"H"
],
"chemical_system": "H-Nb",
"density": 7.608535617205704,
"density_atomic": 0.09757760580094821,
"volume": 20.496506176631,
"volume_molar": 6.171642264194066,
"formula_full": "Nb1 H1",
"formula_reduced": "NbH",
"formula_anonymous": "AB",
"energy": -13.89652201,
"energy_per_atom": -6.948261005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.71752201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.719000Z",
"spacegroup": 139
},
{
"id": "mp-1039148",
"created_at": "2022-09-04T14:42:54.959017Z",
"structure_string": "Ca1 Mg1\n1.0\n3.966138 0.000000 0.000000\n0.000000 3.966138 0.000000\n0.000000 0.000000 3.966138\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7136291574866116,
"density_atomic": 0.03205726977739731,
"volume": 62.38834479317214,
"volume_molar": 18.785569706394785,
"formula_full": "Ca1 Mg1",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy": -3.76448487,
"energy_per_atom": -1.882242435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.76448487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.441000Z",
"spacegroup": 221
},
{
"id": "mp-448",
"created_at": "2022-09-04T14:42:46.397379Z",
"structure_string": "Co1 N1\n1.0\n0.000000 2.128238 2.128238\n2.128238 0.000000 2.128238\n2.128238 2.128238 0.000000\nCo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 6.282372098523369,
"density_atomic": 0.103738370056822,
"volume": 19.279269559609556,
"volume_molar": 5.8051237518975976,
"formula_full": "Co1 N1",
"formula_reduced": "CoN",
"formula_anonymous": "AB",
"energy": -15.59236335,
"energy_per_atom": -7.796181675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.23136335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.338000Z",
"spacegroup": 216
},
{
"id": "mp-1219907",
"created_at": "2022-09-04T14:42:49.905625Z",
"structure_string": "Pr1 Ho1\n1.0\n1.822008 -3.155810 0.000000\n1.822008 3.155810 0.000000\n0.000000 0.000000 5.925127\nPr Ho\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.500000 Ho\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Ho"
],
"chemical_system": "Ho-Pr",
"density": 7.453353389658672,
"density_atomic": 0.029352237239907788,
"volume": 68.13790661519889,
"volume_molar": 20.516803236423144,
"formula_full": "Pr1 Ho1",
"formula_reduced": "PrHo",
"formula_anonymous": "AB",
"energy": -9.28804292,
"energy_per_atom": -4.64402146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.28804292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.193000Z",
"spacegroup": 187
},
{
"id": "mp-1009488",
"created_at": "2022-09-04T14:42:29.646730Z",
"structure_string": "Ni1 N1\n1.0\n0.000000 2.030502 2.030502\n2.030502 0.000000 2.030502\n2.030502 2.030502 0.000000\nNi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ni",
"N"
],
"chemical_system": "N-Ni",
"density": 7.210142452239533,
"density_atomic": 0.1194509849698783,
"volume": 16.74326922046173,
"volume_molar": 5.041516201409801,
"formula_full": "Ni1 N1",
"formula_reduced": "NiN",
"formula_anonymous": "AB",
"energy": -13.25114642,
"energy_per_atom": -6.62557321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.89014642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.809000Z",
"spacegroup": 225
},
{
"id": "mp-11261",
"created_at": "2022-09-04T14:42:54.909281Z",
"structure_string": "Y1 Au1\n1.0\n3.615567 0.000000 0.000000\n0.000000 3.615567 0.000000\n0.000000 0.000000 3.615567\nY Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Au"
],
"chemical_system": "Au-Y",
"density": 10.043662545340906,
"density_atomic": 0.042315624449859875,
"volume": 47.263865912455486,
"volume_molar": 14.23148266932864,
"formula_full": "Y1 Au1",
"formula_reduced": "YAu",
"formula_anonymous": "AB",
"energy": -11.46961107,
"energy_per_atom": -5.734805535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.46961107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.778000Z",
"spacegroup": 221
},
{
"id": "mp-1226211",
"created_at": "2022-09-04T14:42:46.302857Z",
"structure_string": "Cr1 Fe1\n1.0\n1.461548 -1.940539 0.000000\n1.461548 1.940539 0.000000\n0.000000 0.000000 4.022967\nCr Fe\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe",
"density": 7.847322162324531,
"density_atomic": 0.08764316882323556,
"volume": 22.819804747518088,
"volume_molar": 6.871203815263509,
"formula_full": "Cr1 Fe1",
"formula_reduced": "CrFe",
"formula_anonymous": "AB",
"energy": -17.93740134,
"energy_per_atom": -8.96870067,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.93740134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8983687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.484000Z",
"spacegroup": 65
},
{
"id": "mp-1009220",
"created_at": "2022-09-04T14:42:51.011286Z",
"structure_string": "Na1 H1\n1.0\n2.955124 0.000000 0.000000\n0.000000 2.955124 0.000000\n0.000000 0.000000 2.955124\nNa H\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"H"
],
"chemical_system": "H-Na",
"density": 1.5441580794665433,
"density_atomic": 0.07750020808196384,
"volume": 25.806382324610148,
"volume_molar": 7.770483343258917,
"formula_full": "Na1 H1",
"formula_reduced": "NaH",
"formula_anonymous": "AB",
"energy": -4.949567780000001,
"energy_per_atom": -2.4747838900000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.77056778,
"band_gap": 1.033,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.165000Z",
"spacegroup": 221
},
{
"id": "mp-1187794",
"created_at": "2022-09-04T14:42:50.931276Z",
"structure_string": "U1 Br1\n1.0\n1.694393 -2.934775 0.000000\n1.694393 2.934775 0.000000\n0.000000 0.000000 4.737923\nU Br\n1 1\ndirect\n0.666667 0.333333 0.000000 U\n0.000000 0.000000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Br"
],
"chemical_system": "Br-U",
"density": 11.20411683943462,
"density_atomic": 0.04244465835378839,
"volume": 47.120181374283355,
"volume_molar": 14.18821824363323,
"formula_full": "U1 Br1",
"formula_reduced": "UBr",
"formula_anonymous": "AB",
"energy": -14.0827488,
"energy_per_atom": -7.0413744,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.5487488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8496592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.266000Z",
"spacegroup": 187
},
{
"id": "mp-10627",
"created_at": "2022-09-04T14:42:55.188375Z",
"structure_string": "Sr1 S1\n1.0\n3.668432 0.000000 0.000000\n0.000000 3.668432 0.000000\n0.000000 0.000000 3.668432\nSr S\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"S"
],
"chemical_system": "S-Sr",
"density": 4.025755566163782,
"density_atomic": 0.04051245635321031,
"volume": 49.367532359995124,
"volume_molar": 14.864911442287282,
"formula_full": "Sr1 S1",
"formula_reduced": "SrS",
"formula_anonymous": "AB",
"energy": -10.01678513,
"energy_per_atom": -5.008392565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.51378513,
"band_gap": 1.7896,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023363,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.953000Z",
"spacegroup": 221
}
]
}