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=11545",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11543",
"results": [
{
"id": "mp-1184346",
"created_at": "2022-09-04T14:42:24.016529Z",
"structure_string": "Fe2 Hg6\n1.0\n3.217163 -5.572289 0.000000\n3.217163 5.572289 0.000000\n0.000000 0.000000 4.608348\nFe Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.174438 0.348876 0.250000 Hg\n0.651124 0.825562 0.250000 Hg\n0.174438 0.825562 0.250000 Hg\n0.825562 0.651124 0.750000 Hg\n0.348876 0.174438 0.750000 Hg\n0.825562 0.174438 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Hg"
],
"chemical_system": "Fe-Hg",
"density": 13.218094211623102,
"density_atomic": 0.04841813155043242,
"volume": 165.22735892167142,
"volume_molar": 12.43778016036684,
"formula_full": "Fe2 Hg6",
"formula_reduced": "FeHg3",
"formula_anonymous": "AB3",
"energy": -15.11228309,
"energy_per_atom": -1.88903538625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.11228309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7433081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.457000Z",
"spacegroup": 194
},
{
"id": "mp-24237",
"created_at": "2022-09-04T14:42:54.691307Z",
"structure_string": "Sc1 H2\n1.0\n0.000000 2.390000 2.390000\n2.390000 0.000000 2.390000\n2.390000 2.390000 0.000000\nSc H\n1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.750000 0.750000 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sc",
"H"
],
"chemical_system": "H-Sc",
"density": 2.8566861422269403,
"density_atomic": 0.10987466304187711,
"volume": 27.303838000000002,
"volume_molar": 5.48091852414123,
"formula_full": "Sc1 H2",
"formula_reduced": "ScH2",
"formula_anonymous": "AB2",
"energy": -15.47014166,
"energy_per_atom": -5.156713886666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.11214166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001352,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.103000Z",
"spacegroup": 225
},
{
"id": "mp-23159",
"created_at": "2022-09-04T14:46:16.906760Z",
"structure_string": "Sr1 Bi3\n1.0\n5.076826 0.000000 0.000000\n0.000000 5.076826 0.000000\n0.000000 0.000000 5.076826\nSr Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 9.068003757945096,
"density_atomic": 0.030569135330284356,
"volume": 130.85093695919045,
"volume_molar": 19.70006902365328,
"formula_full": "Sr1 Bi3",
"formula_reduced": "SrBi3",
"formula_anonymous": "AB3",
"energy": -15.11135933,
"energy_per_atom": -3.7778398325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.11135933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:30.103000Z",
"spacegroup": 221
},
{
"id": "mp-1187179",
"created_at": "2022-09-04T14:44:15.025100Z",
"structure_string": "Sm2 Mg1 In1\n1.0\n0.000000 3.835552 3.835552\n3.835552 0.000000 3.835552\n3.835552 3.835552 0.000000\nSm Mg In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"In"
],
"chemical_system": "In-Mg-Sm",
"density": 6.4719203150793545,
"density_atomic": 0.035444297295517076,
"volume": 112.85313309077543,
"volume_molar": 16.990436316991588,
"formula_full": "Sm2 Mg1 In1",
"formula_reduced": "Sm2MgIn",
"formula_anonymous": "ABC2",
"energy": -15.10963631,
"energy_per_atom": -3.7774090775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.10963631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0226035,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.500000Z",
"spacegroup": 225
},
{
"id": "mp-1093978",
"created_at": "2022-09-04T14:42:48.524630Z",
"structure_string": "Y2 Cd1 Ir1\n1.0\n-5.690332 5.980446 8.588684\n5.690332 -5.980446 8.588684\n5.690332 5.980446 -8.588684\nY Cd Ir\n2 1 1\ndirect\n0.000000 0.285298 0.285298 Y\n0.000000 0.714702 0.714702 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Y",
"density": 0.6852268017501794,
"density_atomic": 0.0034213869663630384,
"volume": 1169.116513076576,
"volume_molar": 176.01460516468802,
"formula_full": "Y2 Cd1 Ir1",
"formula_reduced": "Y2CdIr",
"formula_anonymous": "ABC2",
"energy": -15.10823924,
"energy_per_atom": -3.77705981,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.10823924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3719112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.629000Z",
"spacegroup": 71
},
{
"id": "mp-1011730",
"created_at": "2022-09-04T14:45:14.225111Z",
"structure_string": "Cs4 Se2\n1.0\n4.983772 0.000000 0.000000\n0.000000 6.488376 0.000000\n0.000000 0.000000 9.228201\nCs Se\n4 2\ndirect\n0.500000 0.250000 0.602925 Cs\n0.500000 0.750000 0.397075 Cs\n0.000000 0.250000 0.928282 Cs\n0.000000 0.750000 0.071718 Cs\n0.500000 0.750000 0.781346 Se\n0.500000 0.250000 0.218654 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cs",
"Se"
],
"chemical_system": "Cs-Se",
"density": 3.83705902665096,
"density_atomic": 0.020106664439680077,
"volume": 298.40852111497554,
"volume_molar": 29.950968635630247,
"formula_full": "Cs4 Se2",
"formula_reduced": "Cs2Se",
"formula_anonymous": "AB2",
"energy": -16.05151296,
"energy_per_atom": -2.67525216,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.10751296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.362000Z",
"spacegroup": 51
},
{
"id": "mp-2147",
"created_at": "2022-09-04T14:40:03.256871Z",
"structure_string": "Sr2 Ge2\n1.0\n2.426801 -5.739058 0.000000\n2.426801 5.739058 0.000000\n0.000000 0.000000 4.221780\nSr Ge\n2 2\ndirect\n0.863153 0.136847 0.750000 Sr\n0.136847 0.863153 0.250000 Sr\n0.570794 0.429206 0.750000 Ge\n0.429206 0.570794 0.250000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Ge"
],
"chemical_system": "Ge-Sr",
"density": 4.525888585404171,
"density_atomic": 0.03401414967527783,
"volume": 117.59811837681424,
"volume_molar": 17.704810549407952,
"formula_full": "Sr2 Ge2",
"formula_reduced": "SrGe",
"formula_anonymous": "AB",
"energy": -15.10705431,
"energy_per_atom": -3.7767635775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.10705431,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013765,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.345000Z",
"spacegroup": 63
},
{
"id": "mp-1221951",
"created_at": "2022-09-04T14:44:28.143217Z",
"structure_string": "Mg2 Zn2 Cu2\n1.0\n-2.539223 2.560099 3.582981\n2.539223 -2.560099 3.582981\n2.539223 2.560099 -3.582981\nMg Zn Cu\n2 2 2\ndirect\n0.123595 0.873595 0.250000 Mg\n0.876405 0.126405 0.750000 Mg\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Cu"
],
"chemical_system": "Cu-Mg-Zn",
"density": 5.46318383472539,
"density_atomic": 0.06440048687558875,
"volume": 93.16699750408756,
"volume_molar": 9.351079552603068,
"formula_full": "Mg2 Zn2 Cu2",
"formula_reduced": "MgZnCu",
"formula_anonymous": "ABC",
"energy": -15.10678833,
"energy_per_atom": -2.517798055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.10678833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.874000Z",
"spacegroup": 74
},
{
"id": "mp-1186672",
"created_at": "2022-09-04T14:42:04.849620Z",
"structure_string": "Pm1 Y1 Zn2\n1.0\n0.000000 3.627216 3.627216\n3.627216 0.000000 3.627216\n3.627216 3.627216 0.000000\nPm Y Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Y",
"Zn"
],
"chemical_system": "Pm-Y-Zn",
"density": 6.345458525947842,
"density_atomic": 0.04190923565125308,
"volume": 95.44435582853204,
"volume_molar": 14.36948363867366,
"formula_full": "Pm1 Y1 Zn2",
"formula_reduced": "PmYZn2",
"formula_anonymous": "ABC2",
"energy": -15.10541305,
"energy_per_atom": -3.7763532625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.10541305,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1064147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.498000Z",
"spacegroup": 225
},
{
"id": "mp-976804",
"created_at": "2022-09-04T14:47:15.615599Z",
"structure_string": "Ni1 Ag1 Te2\n1.0\n7.133859 -2.002457 0.000000\n7.133859 2.002457 0.000000\n6.571774 0.000000 3.422509\nNi Ag Te\n1 1 2\ndirect\n0.998586 0.998586 0.998586 Ni\n0.144344 0.144344 0.144344 Ag\n0.272426 0.272426 0.272426 Te\n0.728643 0.728643 0.728643 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ni",
"Ag",
"Te"
],
"chemical_system": "Ag-Ni-Te",
"density": 7.1623216188859296,
"density_atomic": 0.04090700430975965,
"volume": 97.78276526217478,
"volume_molar": 14.72153940777137,
"formula_full": "Ni1 Ag1 Te2",
"formula_reduced": "NiAgTe2",
"formula_anonymous": "ABC2",
"energy": -15.94826493,
"energy_per_atom": -3.9870662325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.10426493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0205936,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.888000Z",
"spacegroup": 160
},
{
"id": "mp-1099306",
"created_at": "2022-09-04T14:43:05.575129Z",
"structure_string": "Cs1 Mg6 Co1\n1.0\n4.513172 -6.622714 0.000000\n4.513172 6.622714 0.000000\n0.000000 0.000000 3.906970\nCs Mg Co\n1 6 1\ndirect\n0.171920 0.828080 0.000000 Cs\n0.685131 0.833886 0.000000 Mg\n0.166114 0.314869 0.000000 Mg\n0.768218 0.550712 0.500000 Mg\n0.449288 0.231782 0.500000 Mg\n0.819418 0.180582 0.500000 Mg\n0.408531 0.591469 0.500000 Mg\n0.531384 0.468616 0.000000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Co"
],
"chemical_system": "Co-Cs-Mg",
"density": 2.400777306328177,
"density_atomic": 0.03425326931558415,
"volume": 233.5543485293024,
"volume_molar": 17.581214524419476,
"formula_full": "Cs1 Mg6 Co1",
"formula_reduced": "CsMg6Co",
"formula_anonymous": "ABC6",
"energy": -15.10021901,
"energy_per_atom": -1.88752737625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.10021901,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7059741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.993000Z",
"spacegroup": 38
},
{
"id": "mp-1218620",
"created_at": "2022-09-04T14:45:14.895459Z",
"structure_string": "Sr2 Cd2 Pb2\n1.0\n2.604416 6.042757 0.000000\n-2.604416 6.042757 0.000000\n0.000000 5.484788 6.102666\nSr Cd Pb\n2 2 2\ndirect\n0.456176 0.456176 0.794784 Sr\n0.543824 0.543824 0.205216 Sr\n0.845848 0.845848 0.601157 Cd\n0.154152 0.154152 0.398843 Cd\n0.167521 0.167521 0.773169 Pb\n0.832479 0.832479 0.226831 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Pb"
],
"chemical_system": "Cd-Pb-Sr",
"density": 7.040845941698995,
"density_atomic": 0.031236054238286605,
"volume": 192.0857210142019,
"volume_molar": 19.27945416556023,
"formula_full": "Sr2 Cd2 Pb2",
"formula_reduced": "SrCdPb",
"formula_anonymous": "ABC",
"energy": -15.09974471,
"energy_per_atom": -2.516624118333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.09974471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.784000Z",
"spacegroup": 12
}
]
}