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=51",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=49",
"results": [
{
"id": "mp-21143",
"created_at": "2022-09-04T14:42:38.445122Z",
"structure_string": "Ce1 P1\n1.0\n3.503340 0.000000 0.000000\n0.000000 3.503340 0.000000\n0.000000 0.000000 3.503340\nCe P\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"P"
],
"chemical_system": "Ce-P",
"density": 6.607333931302155,
"density_atomic": 0.04651394043832549,
"volume": 42.99786217105971,
"volume_molar": 12.94695891866004,
"formula_full": "Ce1 P1",
"formula_reduced": "CeP",
"formula_anonymous": "AB",
"energy": -13.65950673,
"energy_per_atom": -6.829753365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.65950673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7592052,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.022000Z",
"spacegroup": 221
},
{
"id": "mp-20012",
"created_at": "2022-09-04T14:42:38.121036Z",
"structure_string": "In1 Sb1\n1.0\n0.000000 3.316611 3.316611\n3.316611 0.000000 3.316611\n3.316611 3.316611 0.000000\nIn Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 5.38405945918659,
"density_atomic": 0.027410464146823466,
"volume": 72.96483522814681,
"volume_molar": 21.97022541370534,
"formula_full": "In1 Sb1",
"formula_reduced": "InSb",
"formula_anonymous": "AB",
"energy": -7.29879177,
"energy_per_atom": -3.649395885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.10679177,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020371,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.827000Z",
"spacegroup": 216
},
{
"id": "mp-614455",
"created_at": "2022-09-04T14:44:08.389161Z",
"structure_string": "Gd1 Cu1\n1.0\n3.506098 0.000000 0.000000\n0.000000 3.506098 0.000000\n0.000000 0.000000 3.506098\nGd Cu\n1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Cu"
],
"chemical_system": "Cu-Gd",
"density": 8.506837673520941,
"density_atomic": 0.04640425905371276,
"volume": 43.09949217559981,
"volume_molar": 12.977560428299036,
"formula_full": "Gd1 Cu1",
"formula_reduced": "GdCu",
"formula_anonymous": "AB",
"energy": -18.59790596,
"energy_per_atom": -9.29895298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.59790596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0869023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.285000Z",
"spacegroup": 221
},
{
"id": "mp-79",
"created_at": "2022-09-04T14:40:23.632045Z",
"structure_string": "Zn2\n1.0\n1.313365 -2.274816 0.000000\n1.313365 2.274816 0.000000\n0.000000 0.000000 5.207234\nZn\n2\ndirect\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.981484851061407,
"density_atomic": 0.06427782797692787,
"volume": 31.114928163376767,
"volume_molar": 9.36892385685716,
"formula_full": "Zn2",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -2.51948722,
"energy_per_atom": -1.25974361,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.51948722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006365,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.321000Z",
"spacegroup": 194
},
{
"id": "mp-1008998",
"created_at": "2022-09-04T14:42:40.096992Z",
"structure_string": "La1 S1\n1.0\n3.575452 0.000000 0.000000\n0.000000 3.575452 0.000000\n0.000000 0.000000 3.575452\nLa S\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"S"
],
"chemical_system": "La-S",
"density": 6.211226217193649,
"density_atomic": 0.0437559522238768,
"volume": 45.70806709375274,
"volume_molar": 13.763020695305155,
"formula_full": "La1 S1",
"formula_reduced": "LaS",
"formula_anonymous": "AB",
"energy": -13.26244464,
"energy_per_atom": -6.63122232,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.75944464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2856756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.753000Z",
"spacegroup": 221
},
{
"id": "mp-542583",
"created_at": "2022-09-04T14:42:40.032189Z",
"structure_string": "Eu1 Te1\n1.0\n0.000000 3.272003 3.272003\n3.272003 0.000000 3.272003\n3.272003 3.272003 0.000000\nEu Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Eu",
"Te"
],
"chemical_system": "Eu-Te",
"density": 6.6261195606483305,
"density_atomic": 0.028546897812739395,
"volume": 70.0601520038887,
"volume_molar": 21.095604851720694,
"formula_full": "Eu1 Te1",
"formula_reduced": "EuTe",
"formula_anonymous": "AB",
"energy": -17.21900487,
"energy_per_atom": -8.609502435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.79700487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.999297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.539000Z",
"spacegroup": 225
},
{
"id": "mp-23903",
"created_at": "2022-09-04T14:39:46.021406Z",
"structure_string": "H1 Br1\n1.0\n0.000000 2.445822 2.445822\n2.445822 0.000000 2.445822\n2.445822 2.445822 0.000000\nH Br\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"H",
"Br"
],
"chemical_system": "Br-H",
"density": 4.591527340139851,
"density_atomic": 0.06834794458090143,
"volume": 29.262035782695108,
"volume_molar": 8.811004920377336,
"formula_full": "H1 Br1",
"formula_reduced": "HBr",
"formula_anonymous": "AB",
"energy": -3.79234398,
"energy_per_atom": -1.89617199,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.25834398,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001299,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.084000Z",
"spacegroup": 225
},
{
"id": "mp-1228677",
"created_at": "2022-09-04T14:43:24.947112Z",
"structure_string": "Au1 Cl1\n1.0\n-2.248431 2.710159 -2.857094\n2.248431 -2.647168 -2.746518\n-2.248431 -2.647168 -2.746518\nAu Cl\n1 1\ndirect\n0.003874 0.103116 0.099242 Au\n0.056126 0.706884 0.650758 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Au",
"Cl"
],
"chemical_system": "Au-Cl",
"density": 5.719088122615026,
"density_atomic": 0.029637051521366475,
"volume": 67.48309623709106,
"volume_molar": 20.319635223019436,
"formula_full": "Au1 Cl1",
"formula_reduced": "AuCl",
"formula_anonymous": "AB",
"energy": -5.65457975,
"energy_per_atom": -2.827289875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.04057975,
"band_gap": 1.296,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.824000Z",
"spacegroup": 8
},
{
"id": "mp-1094967",
"created_at": "2022-09-04T14:42:44.502515Z",
"structure_string": "Mg1 Sb1\n1.0\n3.655308 0.000000 0.000000\n0.000000 3.655308 0.000000\n0.000000 0.000000 3.655308\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.96618998423802,
"density_atomic": 0.04095039213544489,
"volume": 48.83958115431297,
"volume_molar": 14.705941618535798,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy": -6.13490414,
"energy_per_atom": -3.06745207,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.94290414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.945000Z",
"spacegroup": 221
},
{
"id": "mp-875",
"created_at": "2022-09-04T14:42:44.576322Z",
"structure_string": "Al1 Os1\n1.0\n3.017968 0.000000 0.000000\n0.000000 3.017968 0.000000\n0.000000 0.000000 3.017968\nAl Os\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Os\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Os"
],
"chemical_system": "Al-Os",
"density": 13.121639371456048,
"density_atomic": 0.07275889654250073,
"volume": 27.488047442167268,
"volume_molar": 8.276844545714463,
"formula_full": "Al1 Os1",
"formula_reduced": "AlOs",
"formula_anonymous": "AB",
"energy": -15.77462007,
"energy_per_atom": -7.887310035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.77462007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020531,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.188000Z",
"spacegroup": 221
},
{
"id": "mp-1187029",
"created_at": "2022-09-04T14:42:44.841401Z",
"structure_string": "Sm1 Zr1\n1.0\n1.701087 -2.946369 0.000000\n1.701087 2.946369 0.000000\n0.000000 0.000000 5.535214\nSm Zr\n1 1\ndirect\n0.333333 0.666667 0.500000 Sm\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"Zr"
],
"chemical_system": "Sm-Zr",
"density": 7.2300148851634995,
"density_atomic": 0.03604557201668685,
"volume": 55.485317283191534,
"volume_molar": 16.70701953963201,
"formula_full": "Sm1 Zr1",
"formula_reduced": "SmZr",
"formula_anonymous": "AB",
"energy": -12.91683488,
"energy_per_atom": -6.45841744,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.91683488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0126097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.088000Z",
"spacegroup": 187
},
{
"id": "mp-1420858",
"created_at": "2022-09-04T14:42:44.616343Z",
"structure_string": "Bi1 N1\n1.0\n3.179564 0.000000 0.000000\n0.000000 3.179564 0.000000\n0.000000 0.000000 3.179564\nBi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Bi",
"N"
],
"chemical_system": "Bi-N",
"density": 11.519300920011288,
"density_atomic": 0.06221960967345516,
"volume": 32.14420679423296,
"volume_molar": 9.678846896670962,
"formula_full": "Bi1 N1",
"formula_reduced": "BiN",
"formula_anonymous": "AB",
"energy": -9.91870357,
"energy_per_atom": -4.959351785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.55770357,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.005000Z",
"spacegroup": 221
}
]
}