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=12151",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12149",
"results": [
{
"id": "mp-1009085",
"created_at": "2022-09-04T14:41:58.479809Z",
"structure_string": "Be2 Si2 P4\n1.0\n-2.569560 2.569560 5.096813\n2.569560 -2.569560 5.096813\n2.569560 2.569560 -5.096813\nBe Si P\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.640025 0.125000 0.015025 P\n0.875000 0.890025 0.515025 P\n0.375000 0.359975 0.484975 P\n0.109975 0.625000 0.984975 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Si",
"P"
],
"chemical_system": "Be-P-Si",
"density": 2.443634992369747,
"density_atomic": 0.059431100159245055,
"volume": 134.6096568726488,
"volume_molar": 10.132978766779907,
"formula_full": "Be2 Si2 P4",
"formula_reduced": "BeSiP2",
"formula_anonymous": "ABC2",
"energy": -42.97211944,
"energy_per_atom": -5.37151493,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.97211944,
"band_gap": 0.8007,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.233000Z",
"spacegroup": 122
},
{
"id": "mp-1009084",
"created_at": "2022-09-04T14:39:49.220477Z",
"structure_string": "Be2 Sn2 As4\n1.0\n-2.827892 2.827892 5.679598\n2.827892 -2.827892 5.679598\n2.827892 2.827892 -5.679598\nBe Sn As\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.180405 0.125000 0.555405 As\n0.375000 0.819595 0.944595 As\n0.569595 0.625000 0.444595 As\n0.875000 0.430405 0.055405 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Sn",
"As"
],
"chemical_system": "As-Be-Sn",
"density": 5.073891376727238,
"density_atomic": 0.044033860219875695,
"volume": 181.6783711455989,
"volume_molar": 13.676159051078988,
"formula_full": "Be2 Sn2 As4",
"formula_reduced": "BeSnAs2",
"formula_anonymous": "ABC2",
"energy": -35.53628484,
"energy_per_atom": -4.442035605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.53628484,
"band_gap": 0.6936999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.497000Z",
"spacegroup": 122
},
{
"id": "mp-1009083",
"created_at": "2022-09-04T14:43:18.278993Z",
"structure_string": "Mg2 Sn2 P4\n1.0\n-2.961089 2.961089 5.824974\n2.961089 -2.961089 5.824974\n2.961089 2.961089 -5.824974\nMg Sn P\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.627512 0.625000 0.502512 P\n0.875000 0.372488 0.997488 P\n0.375000 0.877512 0.002512 P\n0.122488 0.125000 0.497488 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"P"
],
"chemical_system": "Mg-P-Sn",
"density": 3.331935987196626,
"density_atomic": 0.03915913433060926,
"volume": 204.29460805896042,
"volume_molar": 15.378636078001126,
"formula_full": "Mg2 Sn2 P4",
"formula_reduced": "MgSnP2",
"formula_anonymous": "ABC2",
"energy": -35.35035735,
"energy_per_atom": -4.41879466875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.35035735,
"band_gap": 1.2147000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.962000Z",
"spacegroup": 122
},
{
"id": "mp-1009082",
"created_at": "2022-09-04T14:46:17.410035Z",
"structure_string": "Mg2 Sn2 As4\n1.0\n-3.080649 3.080649 6.026012\n3.080649 -3.080649 6.026012\n3.080649 3.080649 -6.026012\nMg Sn As\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.125601 0.125000 0.500601 As\n0.375000 0.874399 0.999399 As\n0.624399 0.625000 0.499399 As\n0.875000 0.375601 0.000601 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"As"
],
"chemical_system": "As-Mg-Sn",
"density": 4.251694590361433,
"density_atomic": 0.03497160509835188,
"volume": 228.75701522710546,
"volume_molar": 17.22008681918866,
"formula_full": "Mg2 Sn2 As4",
"formula_reduced": "MgSnAs2",
"formula_anonymous": "ABC2",
"energy": -32.35057827,
"energy_per_atom": -4.04382228375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.35057827,
"band_gap": 0.1863999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.937000Z",
"spacegroup": 122
},
{
"id": "mp-1009080",
"created_at": "2022-09-04T14:40:31.976743Z",
"structure_string": "Ho1 Cd2\n1.0\n2.714855 -4.702267 0.000000\n2.714855 4.702267 0.000000\n0.000000 0.000000 3.244331\nHo Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.951257 Cd\n0.333333 0.666667 0.048743 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 7.813196202984641,
"density_atomic": 0.036216975439272256,
"volume": 82.83408439311359,
"volume_molar": 16.62795053136831,
"formula_full": "Ho1 Cd2",
"formula_reduced": "HoCd2",
"formula_anonymous": "AB2",
"energy": -6.050043820000001,
"energy_per_atom": -2.0166812733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.050043820000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.784000Z",
"spacegroup": 164
},
{
"id": "mp-1009079",
"created_at": "2022-09-04T14:48:13.935647Z",
"structure_string": "Cr1 Te1\n1.0\n0.000000 2.860465 2.860465\n2.860465 0.000000 2.860465\n2.860465 2.860465 0.000000\nCr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.37097775568267,
"density_atomic": 0.042725788407219,
"volume": 46.81013679462209,
"volume_molar": 14.094861638603472,
"formula_full": "Cr1 Te1",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy": -13.21722871,
"energy_per_atom": -6.608614355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79522871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.128000Z",
"spacegroup": 225
},
{
"id": "mp-1009078",
"created_at": "2022-09-04T14:46:20.110573Z",
"structure_string": "Co1 N1\n1.0\n0.000000 2.003702 2.003702\n2.003702 0.000000 2.003702\n2.003702 2.003702 0.000000\nCo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 7.528090659147261,
"density_atomic": 0.12430843674533089,
"volume": 16.08901255911837,
"volume_molar": 4.844514916020932,
"formula_full": "Co1 N1",
"formula_reduced": "CoN",
"formula_anonymous": "AB",
"energy": -14.84425751,
"energy_per_atom": -7.422128755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.48325751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0141299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.798000Z",
"spacegroup": 225
},
{
"id": "mp-1009077",
"created_at": "2022-09-04T14:41:30.623270Z",
"structure_string": "Fe1 H1\n1.0\n0.000000 1.880473 1.880473\n1.880473 0.000000 1.880473\n1.880473 1.880473 0.000000\nFe H\n1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Fe",
"H"
],
"chemical_system": "Fe-H",
"density": 7.098567613253713,
"density_atomic": 0.1503829823969142,
"volume": 13.29937715107477,
"volume_molar": 4.004536061205003,
"formula_full": "Fe1 H1",
"formula_reduced": "FeH",
"formula_anonymous": "AB",
"energy": -11.99969785,
"energy_per_atom": -5.999848925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.82069785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1033508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.512000Z",
"spacegroup": 225
},
{
"id": "mp-1009071",
"created_at": "2022-09-04T14:42:26.817775Z",
"structure_string": "Ir1 C2\n1.0\n-1.715962 1.715962 2.694216\n1.715962 -1.715962 2.694216\n1.715962 1.715962 -2.694216\nIr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ir\n0.621751 0.621751 0.000000 C\n0.378249 0.378249 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 11.315511286304403,
"density_atomic": 0.09453954768585424,
"volume": 31.732751778850368,
"volume_molar": 6.369969930479243,
"formula_full": "Ir1 C2",
"formula_reduced": "IrC2",
"formula_anonymous": "AB2",
"energy": -22.93091615,
"energy_per_atom": -7.6436387166666675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.93091615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.322000Z",
"spacegroup": 139
},
{
"id": "mp-1009049",
"created_at": "2022-09-04T14:44:20.455216Z",
"structure_string": "Ir1 N2\n1.0\n1.546623 -2.678829 0.000000\n1.546623 2.678829 0.000000\n0.000000 0.000000 3.767014\nIr N\n1 2\ndirect\n0.666667 0.333333 0.500000 Ir\n0.000000 0.000000 0.832649 N\n0.000000 0.000000 0.167351 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ir",
"N"
],
"chemical_system": "Ir-N",
"density": 11.715738756912797,
"density_atomic": 0.09610911290071422,
"volume": 31.214521801893625,
"volume_molar": 6.2659414682364085,
"formula_full": "Ir1 N2",
"formula_reduced": "IrN2",
"formula_anonymous": "AB2",
"energy": -23.14455762,
"energy_per_atom": -7.71485254,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.42255762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3734723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.145000Z",
"spacegroup": 187
},
{
"id": "mp-1009048",
"created_at": "2022-09-04T14:39:19.084080Z",
"structure_string": "K1 Ag1 O1\n1.0\n0.000000 3.069742 3.069742\n3.069742 0.000000 3.069742\n3.069742 3.069742 0.000000\nK Ag O\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ag",
"O"
],
"chemical_system": "Ag-K-O",
"density": 4.677461403158296,
"density_atomic": 0.051854402017270006,
"volume": 57.85429748087454,
"volume_molar": 11.613557433357997,
"formula_full": "K1 Ag1 O1",
"formula_reduced": "KAgO",
"formula_anonymous": "ABC",
"energy": -10.65771952,
"energy_per_atom": -3.5525731733333337,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.97071952,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.726000Z",
"spacegroup": 216
},
{
"id": "mp-1009020",
"created_at": "2022-09-04T14:39:14.491423Z",
"structure_string": "K1 Cu1 O1\n1.0\n0.000000 2.936332 2.936332\n2.936332 0.000000 2.936332\n2.936332 2.936332 0.000000\nK Cu O\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Cu",
"O"
],
"chemical_system": "Cu-K-O",
"density": 3.890884236679333,
"density_atomic": 0.05924828514850474,
"volume": 50.634376885011186,
"volume_molar": 10.164244829880923,
"formula_full": "K1 Cu1 O1",
"formula_reduced": "KCuO",
"formula_anonymous": "ABC",
"energy": -11.25546253,
"energy_per_atom": -3.7518208433333338,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.56846253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.295000Z",
"spacegroup": 216
}
]
}