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=11543",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11541",
"results": [
{
"id": "mp-861872",
"created_at": "2022-09-04T14:47:46.282690Z",
"structure_string": "Ac2 Hg1 Ge1\n1.0\n0.000000 3.976132 3.976132\n3.976132 0.000000 3.976132\n3.976132 3.976132 0.000000\nAc Hg Ge\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ac\n0.750000 0.750000 0.750000 Ac\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Hg",
"Ge"
],
"chemical_system": "Ac-Ge-Hg",
"density": 9.605246329241522,
"density_atomic": 0.03181614919580075,
"volume": 125.72231715986356,
"volume_molar": 18.927937265251547,
"formula_full": "Ac2 Hg1 Ge1",
"formula_reduced": "Ac2HgGe",
"formula_anonymous": "ABC2",
"energy": -15.14009427,
"energy_per_atom": -3.7850235675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.14009427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.543000Z",
"spacegroup": 225
},
{
"id": "mp-983609",
"created_at": "2022-09-04T14:44:57.489845Z",
"structure_string": "Mg1 In5\n1.0\n1.647845 -8.935355 0.000000\n1.647845 8.935355 0.000000\n0.000000 0.000000 5.510279\nMg In\n1 5\ndirect\n0.222001 0.777999 0.500000 Mg\n0.999623 0.000377 0.000000 In\n0.669447 0.330553 0.000000 In\n0.331849 0.668151 0.000000 In\n0.559190 0.440810 0.500000 In\n0.885739 0.114261 0.500000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 6.123578629710874,
"density_atomic": 0.036975963177289975,
"volume": 162.26757829759796,
"volume_molar": 16.286636621540936,
"formula_full": "Mg1 In5",
"formula_reduced": "MgIn5",
"formula_anonymous": "AB5",
"energy": -15.140032700000004,
"energy_per_atom": -2.523338783333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.140032700000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.325000Z",
"spacegroup": 38
},
{
"id": "mp-1183141",
"created_at": "2022-09-04T14:43:18.019298Z",
"structure_string": "Ag2 C2\n1.0\n1.778592 -3.080612 0.000000\n1.778592 3.080612 0.000000\n0.000000 0.000000 5.553497\nAg C\n2 2\ndirect\n0.666667 0.333333 0.494836 Ag\n0.333333 0.666667 0.994836 Ag\n0.666667 0.333333 0.880162 C\n0.333333 0.666667 0.380162 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"C"
],
"chemical_system": "Ag-C",
"density": 6.542021510073919,
"density_atomic": 0.06572795446442645,
"volume": 60.85690681527137,
"volume_molar": 9.162221476494187,
"formula_full": "Ag2 C2",
"formula_reduced": "AgC",
"formula_anonymous": "AB",
"energy": -15.13920534,
"energy_per_atom": -3.784801335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13920534,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.679000Z",
"spacegroup": 186
},
{
"id": "mp-1071319",
"created_at": "2022-09-04T14:44:48.163261Z",
"structure_string": "Zn3 Te3\n1.0\n2.175884 -3.768741 0.000000\n2.175884 3.768741 0.000000\n0.000000 0.000000 9.780184\nZn Te\n3 3\ndirect\n0.523145 0.000000 0.833333 Zn\n0.476855 0.476855 0.500000 Zn\n0.000000 0.523145 0.166667 Zn\n0.508394 0.000000 0.333333 Te\n0.491606 0.491606 0.000000 Te\n0.000000 0.508394 0.666667 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 5.994305328756802,
"density_atomic": 0.03740607998659795,
"volume": 160.4017315406937,
"volume_molar": 16.099363424763155,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -16.40443942,
"energy_per_atom": -2.7340732366666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.138439419999996,
"band_gap": 0.2949000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.764000Z",
"spacegroup": 152
},
{
"id": "mp-11344",
"created_at": "2022-09-04T14:46:53.552157Z",
"structure_string": "Pr1 O1\n1.0\n0.000000 2.551148 2.551148\n2.551148 0.000000 2.551148\n2.551148 2.551148 0.000000\nPr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"O"
],
"chemical_system": "O-Pr",
"density": 7.846113690977709,
"density_atomic": 0.060227250569505494,
"volume": 33.20755938695711,
"volume_molar": 9.99902984621575,
"formula_full": "Pr1 O1",
"formula_reduced": "PrO",
"formula_anonymous": "AB",
"energy": -15.82146065,
"energy_per_atom": -7.910730325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13446065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00063,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.018000Z",
"spacegroup": 225
},
{
"id": "mp-1187660",
"created_at": "2022-09-04T14:46:12.300597Z",
"structure_string": "Yb1 Eu1 Cd2\n1.0\n0.000000 3.874487 3.874487\n3.874487 0.000000 3.874487\n3.874487 3.874487 0.000000\nYb Eu Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Eu\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Eu",
"Cd"
],
"chemical_system": "Cd-Eu-Yb",
"density": 7.848772669299248,
"density_atomic": 0.0343864523133466,
"volume": 116.32488177465923,
"volume_molar": 17.513120298433915,
"formula_full": "Yb1 Eu1 Cd2",
"formula_reduced": "YbEuCd2",
"formula_anonymous": "ABC2",
"energy": -15.13440711,
"energy_per_atom": -3.7836017775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13440711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1791504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.556000Z",
"spacegroup": 225
},
{
"id": "mp-504498",
"created_at": "2022-09-04T14:39:12.517030Z",
"structure_string": "K4 Cd2 Pb2\n1.0\n4.363780 -5.581884 0.000000\n4.363780 5.581884 0.000000\n0.000000 0.000000 6.658774\nK Cd Pb\n4 2 2\ndirect\n0.978904 0.321219 0.750000 K\n0.678781 0.021096 0.250000 K\n0.322779 0.961865 0.750000 K\n0.038135 0.677221 0.250000 K\n0.508087 0.491913 0.000000 Cd\n0.508087 0.491913 0.500000 Cd\n0.776882 0.770653 0.750000 Pb\n0.229347 0.223118 0.250000 Pb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cd",
"Pb"
],
"chemical_system": "Cd-K-Pb",
"density": 4.072717097793799,
"density_atomic": 0.024661646129484478,
"volume": 324.39034920850315,
"volume_molar": 24.41905430148951,
"formula_full": "K4 Cd2 Pb2",
"formula_reduced": "K2CdPb",
"formula_anonymous": "ABC2",
"energy": -15.1328584,
"energy_per_atom": -1.8916073,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.1328584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013019,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.553000Z",
"spacegroup": 40
},
{
"id": "mp-1186760",
"created_at": "2022-09-04T14:42:17.290484Z",
"structure_string": "Sr1 Sn3\n1.0\n4.880462 0.000000 0.000000\n0.000000 4.880462 0.000000\n0.000000 0.000000 4.880462\nSr Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Sn"
],
"chemical_system": "Sn-Sr",
"density": 6.338765077908358,
"density_atomic": 0.034409406699202935,
"volume": 116.24728188331875,
"volume_molar": 17.501437361718583,
"formula_full": "Sr1 Sn3",
"formula_reduced": "SrSn3",
"formula_anonymous": "AB3",
"energy": -15.13199439,
"energy_per_atom": -3.7829985975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13199439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.381000Z",
"spacegroup": 221
},
{
"id": "mp-1221101",
"created_at": "2022-09-04T14:40:16.929061Z",
"structure_string": "Na1 Bi1 Se2\n1.0\n7.205151 -2.115426 0.000000\n7.205151 2.115426 0.000000\n6.584064 0.000000 3.611001\nNa Bi Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.253251 0.253251 0.253251 Se\n0.746749 0.746749 0.746749 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Bi",
"Se"
],
"chemical_system": "Bi-Na-Se",
"density": 5.881564355947738,
"density_atomic": 0.03633803695862837,
"volume": 110.07749275377988,
"volume_molar": 16.57255389677856,
"formula_full": "Na1 Bi1 Se2",
"formula_reduced": "NaBiSe2",
"formula_anonymous": "ABC2",
"energy": -16.07587789,
"energy_per_atom": -4.0189694725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13187789,
"band_gap": 1.0922999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.846000Z",
"spacegroup": 166
},
{
"id": "mp-994",
"created_at": "2022-09-04T14:46:17.085666Z",
"structure_string": "Y1 P1\n1.0\n0.000000 2.839866 2.839866\n2.839866 0.000000 2.839866\n2.839866 2.839866 0.000000\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": 4.345811510083511,
"density_atomic": 0.04366228452456992,
"volume": 45.80612356356542,
"volume_molar": 13.79254618848719,
"formula_full": "Y1 P1",
"formula_reduced": "YP",
"formula_anonymous": "AB",
"energy": -15.13100522,
"energy_per_atom": -7.56550261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13100522,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001487,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.727000Z",
"spacegroup": 225
},
{
"id": "mp-631488",
"created_at": "2022-09-04T14:44:16.905476Z",
"structure_string": "Ni1 Ru1 Br2\n1.0\n0.000000 3.216152 3.216152\n3.216152 0.000000 3.216152\n3.216152 3.216152 0.000000\nNi Ru Br\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ru\n0.250000 0.250000 0.250000 Br\n0.750000 0.750000 0.750000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"Ru",
"Br"
],
"chemical_system": "Br-Ni-Ru",
"density": 7.975856088204423,
"density_atomic": 0.06012018354742477,
"volume": 66.53339634009382,
"volume_molar": 10.016836950022844,
"formula_full": "Ni1 Ru1 Br2",
"formula_reduced": "NiRuBr2",
"formula_anonymous": "ABC2",
"energy": -16.19878809,
"energy_per_atom": -4.0496970225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13078809,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.717000Z",
"spacegroup": 225
},
{
"id": "mp-1226232",
"created_at": "2022-09-04T14:43:02.051850Z",
"structure_string": "Cr1 Ni1\n1.0\n4.209575 -1.244493 0.000000\n4.209575 1.244493 0.000000\n3.841661 0.000000 2.123894\nCr Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Ni"
],
"chemical_system": "Cr-Ni",
"density": 8.259656373848346,
"density_atomic": 0.08987449275628726,
"volume": 22.253254941014262,
"volume_molar": 6.700611681147669,
"formula_full": "Cr1 Ni1",
"formula_reduced": "CrNi",
"formula_anonymous": "AB",
"energy": -15.12956743,
"energy_per_atom": -7.564783715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12956743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.263000Z",
"spacegroup": 166
}
]
}