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=119",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=117",
"results": [
{
"id": "mp-1215473",
"created_at": "2022-09-04T14:39:46.579358Z",
"structure_string": "Zn1 Fe1\n1.0\n2.572789 0.000000 0.000000\n0.000000 2.572789 0.000000\n0.000000 0.000000 3.883625\nZn Fe\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Fe"
],
"chemical_system": "Fe-Zn",
"density": 7.832484482867597,
"density_atomic": 0.07780085452462573,
"volume": 25.706658522201124,
"volume_molar": 7.740455804497438,
"formula_full": "Zn1 Fe1",
"formula_reduced": "ZnFe",
"formula_anonymous": "AB",
"energy": -9.74708326,
"energy_per_atom": -4.87354163,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.74708326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3382787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.036000Z",
"spacegroup": 123
},
{
"id": "mp-11375",
"created_at": "2022-09-04T14:42:44.874855Z",
"structure_string": "Eu1 Hg1\n1.0\n3.904327 0.000000 0.000000\n0.000000 3.904327 0.000000\n0.000000 0.000000 3.904327\nEu Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Eu",
"Hg"
],
"chemical_system": "Eu-Hg",
"density": 9.83640023848255,
"density_atomic": 0.033604036163714074,
"volume": 59.51666014928341,
"volume_molar": 17.920885249203366,
"formula_full": "Eu1 Hg1",
"formula_reduced": "EuHg",
"formula_anonymous": "AB",
"energy": -11.71599031,
"energy_per_atom": -5.857995155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.71599031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0426213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.685000Z",
"spacegroup": 221
},
{
"id": "mp-702",
"created_at": "2022-09-04T14:39:47.104817Z",
"structure_string": "Ce1 Hg1\n1.0\n3.829011 0.000000 0.000000\n0.000000 3.829011 0.000000\n0.000000 0.000000 3.829011\nCe Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Hg"
],
"chemical_system": "Ce-Hg",
"density": 10.077876622969242,
"density_atomic": 0.035626253489171034,
"volume": 56.13837561134293,
"volume_molar": 16.90365999846291,
"formula_full": "Ce1 Hg1",
"formula_reduced": "CeHg",
"formula_anonymous": "AB",
"energy": -6.80734234,
"energy_per_atom": -3.40367117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.80734234,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3290964,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.826000Z",
"spacegroup": 221
},
{
"id": "mp-1238773",
"created_at": "2022-09-04T14:39:48.490012Z",
"structure_string": "Mn1 O1\n1.0\n-1.733321 -3.007839 -0.001035\n-1.733321 3.007839 0.001035\n0.000000 -0.001928 -4.807558\nMn O\n1 1\ndirect\n0.666513 0.333487 0.057345 Mn\n0.333577 0.666423 0.056225 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 2.349830771018693,
"density_atomic": 0.03989715634710043,
"volume": 50.12888594365579,
"volume_molar": 15.09416036473403,
"formula_full": "Mn1 O1",
"formula_reduced": "MnO",
"formula_anonymous": "AB",
"energy": -17.343757189999998,
"energy_per_atom": -8.671878594999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.98875719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.870000Z",
"spacegroup": 187
},
{
"id": "mp-11572",
"created_at": "2022-09-04T14:39:48.586745Z",
"structure_string": "Ta1 Tc1\n1.0\n3.190821 0.000000 0.000000\n0.000000 3.190821 0.000000\n0.000000 0.000000 3.190821\nTa Tc\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Tc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Tc"
],
"chemical_system": "Ta-Tc",
"density": 14.258204444681578,
"density_atomic": 0.061563410469657034,
"volume": 32.48682918542576,
"volume_molar": 9.782012910035503,
"formula_full": "Ta1 Tc1",
"formula_reduced": "TaTc",
"formula_anonymous": "AB",
"energy": -23.21378663,
"energy_per_atom": -11.606893315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.21378663,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016886,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.114000Z",
"spacegroup": 221
},
{
"id": "mp-1009650",
"created_at": "2022-09-04T14:44:31.699818Z",
"structure_string": "Rb1 Sb1\n1.0\n0.000000 4.258000 4.258000\n4.258000 0.000000 4.258000\n4.258000 4.258000 0.000000\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 2.2286924759656896,
"density_atomic": 0.012953377689341378,
"volume": 154.399883024,
"volume_molar": 46.49089144490312,
"formula_full": "Rb1 Sb1",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy": -4.30309225,
"energy_per_atom": -2.151546125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.11109225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.138000Z",
"spacegroup": 216
},
{
"id": "mp-1519",
"created_at": "2022-09-04T14:46:07.931498Z",
"structure_string": "Ca1 Te1\n1.0\n0.000000 3.198614 3.198614\n3.198614 0.000000 3.198614\n3.198614 3.198614 0.000000\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.254119504496153,
"density_atomic": 0.03055726627797402,
"volume": 65.4508810377982,
"volume_molar": 19.707720923781782,
"formula_full": "Ca1 Te1",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy": -8.867579580000001,
"energy_per_atom": -4.4337897900000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.44557958,
"band_gap": 1.5535,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003154,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.369000Z",
"spacegroup": 225
},
{
"id": "mp-7590",
"created_at": "2022-09-04T14:42:43.906992Z",
"structure_string": "Ge1 P1\n1.0\n-1.782598 1.782598 2.870720\n1.782598 -1.782598 2.870720\n1.782598 1.782598 -2.870720\nGe P\n1 1\ndirect\n0.003609 0.003609 0.000000 Ge\n0.423391 0.423391 0.000000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"P"
],
"chemical_system": "Ge-P",
"density": 4.715295164940285,
"density_atomic": 0.05481158230319042,
"volume": 36.48863827606717,
"volume_molar": 10.986985791960013,
"formula_full": "Ge1 P1",
"formula_reduced": "GeP",
"formula_anonymous": "AB",
"energy": -9.90321285,
"energy_per_atom": -4.951606425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.90321285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.654000Z",
"spacegroup": 107
},
{
"id": "mp-631",
"created_at": "2022-09-04T14:39:49.376825Z",
"structure_string": "Ti1 C1\n1.0\n0.000000 2.167825 2.167825\n2.167825 0.000000 2.167825\n2.167825 2.167825 0.000000\nTi C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 4.879907058924726,
"density_atomic": 0.09815837019363803,
"volume": 20.375236427159287,
"volume_molar": 6.135127089131636,
"formula_full": "Ti1 C1",
"formula_reduced": "TiC",
"formula_anonymous": "AB",
"energy": -18.74228076,
"energy_per_atom": -9.37114038,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.74228076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.44e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.548000Z",
"spacegroup": 225
},
{
"id": "mp-1215891",
"created_at": "2022-09-04T14:43:34.142282Z",
"structure_string": "Y1 Th1\n1.0\n2.007048 -2.819017 0.000000\n2.007048 2.819017 0.000000\n0.000000 0.000000 5.715821\nY Th\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Th"
],
"chemical_system": "Th-Y",
"density": 8.239752509811314,
"density_atomic": 0.030921882554989098,
"volume": 64.67911507144993,
"volume_molar": 19.475336759625446,
"formula_full": "Y1 Th1",
"formula_reduced": "YTh",
"formula_anonymous": "AB",
"energy": -13.53085352,
"energy_per_atom": -6.76542676,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.53085352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.110213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.132000Z",
"spacegroup": 65
},
{
"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-12067",
"created_at": "2022-09-04T14:40:00.435971Z",
"structure_string": "Mn1 Al1\n1.0\n2.947898 0.000000 0.000000\n0.000000 2.947898 0.000000\n0.000000 0.000000 2.947898\nMn Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Al"
],
"chemical_system": "Al-Mn",
"density": 5.3100605852411045,
"density_atomic": 0.07807152061622735,
"volume": 25.61753612858791,
"volume_molar": 7.713620424537094,
"formula_full": "Mn1 Al1",
"formula_reduced": "MnAl",
"formula_anonymous": "AB",
"energy": -13.35677073,
"energy_per_atom": -6.678385365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.35677073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9212481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.608000Z",
"spacegroup": 221
}
]
}