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=energy_uncorrected&page=11511",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11509",
"results": [
{
"id": "mp-1097303",
"created_at": "2022-09-04T14:43:22.709635Z",
"structure_string": "Ga1 Re1 Ge2\n1.0\n-4.645934 5.141196 7.212978\n4.645934 -5.141196 7.212978\n4.645934 5.141196 -7.212978\nGa Re Ge\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Re\n0.000000 0.248127 0.248127 Ge\n0.000000 0.751873 0.751873 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Re",
"Ge"
],
"chemical_system": "Ga-Ge-Re",
"density": 0.9667385805958622,
"density_atomic": 0.005804277871920229,
"volume": 689.1468823970483,
"volume_molar": 103.75348825275478,
"formula_full": "Ga1 Re1 Ge2",
"formula_reduced": "GaReGe2",
"formula_anonymous": "ABC2",
"energy": -15.53224331,
"energy_per_atom": -3.8830608275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53224331,
"band_gap": 0.3298000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.276000Z",
"spacegroup": 71
},
{
"id": "mp-985828",
"created_at": "2022-09-04T14:41:03.680598Z",
"structure_string": "Ag1 Bi1 S2\n1.0\n4.034830 0.000000 0.000000\n0.000000 4.034830 0.000000\n0.000000 0.000000 5.556661\nAg Bi S\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"S"
],
"chemical_system": "Ag-Bi-S",
"density": 6.993350485012286,
"density_atomic": 0.04421764479087515,
"volume": 90.46162496708664,
"volume_molar": 13.619315973253151,
"formula_full": "Ag1 Bi1 S2",
"formula_reduced": "AgBiS2",
"formula_anonymous": "ABC2",
"energy": -16.53794932,
"energy_per_atom": -4.13448733,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53194932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.237000Z",
"spacegroup": 123
},
{
"id": "mp-1185964",
"created_at": "2022-09-04T14:39:32.990407Z",
"structure_string": "Mg1 Sc2 Hg1\n1.0\n0.000000 3.539619 3.539619\n3.539619 0.000000 3.539619\n3.539619 3.539619 0.000000\nMg Sc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Hg"
],
"chemical_system": "Hg-Mg-Sc",
"density": 5.893776825272591,
"density_atomic": 0.045098328188823686,
"volume": 88.69508384550903,
"volume_molar": 13.353356990941437,
"formula_full": "Mg1 Sc2 Hg1",
"formula_reduced": "MgSc2Hg",
"formula_anonymous": "ABC2",
"energy": -15.53139821,
"energy_per_atom": -3.8828495525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53139821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.397000Z",
"spacegroup": 225
},
{
"id": "mp-1186556",
"created_at": "2022-09-04T14:44:45.211545Z",
"structure_string": "Pm1 Dy1 Tl2\n1.0\n0.000000 3.842038 3.842038\n3.842038 0.000000 3.842038\n3.842038 3.842038 0.000000\nPm Dy Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Dy\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Dy",
"Tl"
],
"chemical_system": "Dy-Pm-Tl",
"density": 10.485975388810635,
"density_atomic": 0.035265092533498556,
"volume": 113.42661290907921,
"volume_molar": 17.076775721712703,
"formula_full": "Pm1 Dy1 Tl2",
"formula_reduced": "PmDyTl2",
"formula_anonymous": "ABC2",
"energy": -15.53115152,
"energy_per_atom": -3.88278788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53115152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.793000Z",
"spacegroup": 225
},
{
"id": "mp-978828",
"created_at": "2022-09-04T14:42:54.571273Z",
"structure_string": "Sm3 Zn1\n1.0\n-2.376557 2.376557 4.970761\n2.376557 -2.376557 4.970761\n2.376557 2.376557 -4.970761\nSm Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.637141379825417,
"density_atomic": 0.03561891185231292,
"volume": 112.29989328661256,
"volume_molar": 16.907144117623996,
"formula_full": "Sm3 Zn1",
"formula_reduced": "Sm3Zn",
"formula_anonymous": "AB3",
"energy": -15.53073787,
"energy_per_atom": -3.8826844675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.53073787,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0491107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.496000Z",
"spacegroup": 139
},
{
"id": "mp-962058",
"created_at": "2022-09-04T14:46:24.431259Z",
"structure_string": "Y1 Se1 Cl1\n1.0\n0.000000 3.434872 3.434872\n3.434872 0.000000 3.434872\n3.434872 3.434872 0.000000\nY Se Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.750000 0.750000 Se\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Se",
"Cl"
],
"chemical_system": "Cl-Se-Y",
"density": 4.165480186772046,
"density_atomic": 0.03701345157087191,
"volume": 81.05161428287003,
"volume_molar": 16.270141001222328,
"formula_full": "Y1 Se1 Cl1",
"formula_reduced": "YSeCl",
"formula_anonymous": "ABC",
"energy": -16.61545609,
"energy_per_atom": -5.538485363333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52945609,
"band_gap": 1.8941000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.278000Z",
"spacegroup": 216
},
{
"id": "mp-2251",
"created_at": "2022-09-04T14:48:30.036413Z",
"structure_string": "Li3 N1\n1.0\n1.825345 -3.161590 0.000000\n1.825345 3.161590 0.000000\n0.000000 0.000000 3.888635\nLi N\n3 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.000000 Li\n0.666667 0.333333 0.000000 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.2886089547430535,
"density_atomic": 0.08912146257637465,
"volume": 44.882566829197955,
"volume_molar": 6.757228377888425,
"formula_full": "Li3 N1",
"formula_reduced": "Li3N",
"formula_anonymous": "AB3",
"energy": -15.89042644,
"energy_per_atom": -3.97260661,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52942644,
"band_gap": 0.984,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.4e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:48.490000Z",
"spacegroup": 191
},
{
"id": "mp-861946",
"created_at": "2022-09-04T14:45:27.564679Z",
"structure_string": "Er2 Mg1 Al1\n1.0\n0.000000 3.645710 3.645710\n3.645710 0.000000 3.645710\n3.645710 3.645710 0.000000\nEr Mg Al\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Al"
],
"chemical_system": "Al-Er-Mg",
"density": 6.610587767879269,
"density_atomic": 0.04127467261294745,
"volume": 96.9117317418828,
"volume_molar": 14.590402246124455,
"formula_full": "Er2 Mg1 Al1",
"formula_reduced": "Er2MgAl",
"formula_anonymous": "ABC2",
"energy": -15.52893136,
"energy_per_atom": -3.88223284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52893136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0125982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.849000Z",
"spacegroup": 225
},
{
"id": "mp-1186432",
"created_at": "2022-09-04T14:45:37.120756Z",
"structure_string": "Pm2 Al1 Cd1\n1.0\n0.000000 3.776209 3.776209\n3.776209 0.000000 3.776209\n3.776209 3.776209 0.000000\nPm Al Cd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Al",
"Cd"
],
"chemical_system": "Al-Cd-Pm",
"density": 6.6207246518188985,
"density_atomic": 0.03714171273700278,
"volume": 107.69562589435901,
"volume_molar": 16.21395545930327,
"formula_full": "Pm2 Al1 Cd1",
"formula_reduced": "Pm2AlCd",
"formula_anonymous": "ABC2",
"energy": -15.52880209,
"energy_per_atom": -3.8822005225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52880209,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.740000Z",
"spacegroup": 225
},
{
"id": "mp-31157",
"created_at": "2022-09-04T14:45:53.418449Z",
"structure_string": "Ca3 Sb1 N1\n1.0\n5.757405 0.000000 0.000000\n0.000000 5.757405 0.000000\n0.000000 0.000000 5.757405\nCa Sb N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"N"
],
"chemical_system": "Ca-N-Sb",
"density": 2.227459972134415,
"density_atomic": 0.026199298466947046,
"volume": 190.84480473047722,
"volume_molar": 22.985885548032957,
"formula_full": "Ca3 Sb1 N1",
"formula_reduced": "Ca3SbN",
"formula_anonymous": "ABC3",
"energy": -16.08171607,
"energy_per_atom": -3.2163432139999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52871607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0201472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.866000Z",
"spacegroup": 221
},
{
"id": "mp-1221929",
"created_at": "2022-09-04T14:45:55.223051Z",
"structure_string": "Mg1 Zn1 S2\n1.0\n3.941292 0.000000 0.000000\n0.000000 3.941292 0.000000\n0.000000 0.000000 5.568067\nMg Zn S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.238296 S\n0.500000 0.000000 0.761704 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"S"
],
"chemical_system": "Mg-S-Zn",
"density": 2.953574872480071,
"density_atomic": 0.046246440897066615,
"volume": 86.4931424431781,
"volume_molar": 13.02184696418872,
"formula_full": "Mg1 Zn1 S2",
"formula_reduced": "MgZnS2",
"formula_anonymous": "ABC2",
"energy": -16.53441787,
"energy_per_atom": -4.1336044675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52841787,
"band_gap": 2.5474,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.134000Z",
"spacegroup": 115
},
{
"id": "mp-1096488",
"created_at": "2022-09-04T14:44:25.847911Z",
"structure_string": "Sc2 Hg1 Os1\n1.0\n-5.406882 6.949424 8.345343\n5.406882 -6.949424 8.345343\n5.406882 6.949424 -8.345343\nSc Hg Os\n2 1 1\ndirect\n0.000000 0.207590 0.207590 Sc\n0.000000 0.792410 0.792410 Sc\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"Os"
],
"chemical_system": "Hg-Os-Sc",
"density": 0.6364321150553386,
"density_atomic": 0.003189041033715511,
"volume": 1254.2955571003272,
"volume_molar": 188.8386099875197,
"formula_full": "Sc2 Hg1 Os1",
"formula_reduced": "Sc2HgOs",
"formula_anonymous": "ABC2",
"energy": -15.52737827,
"energy_per_atom": -3.8818445675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.52737827,
"band_gap": 0.0509000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.280000Z",
"spacegroup": 71
}
]
}