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=-formula_full&page=137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=135",
"results": [
{
"id": "mp-1207063",
"created_at": "2022-09-04T14:43:11.610963Z",
"structure_string": "Zr1 B1 Rh3\n1.0\n4.758430 0.000000 0.000000\n0.000000 4.758430 0.000000\n0.000000 0.000000 4.758430\nZr B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Zr",
"density": 6.330488159726366,
"density_atomic": 0.04640651438955192,
"volume": 107.7434938989021,
"volume_molar": 12.976929724667794,
"formula_full": "Zr1 B1 Rh3",
"formula_reduced": "ZrBRh3",
"formula_anonymous": "ABC3",
"energy": -28.18694272,
"energy_per_atom": -5.637388544,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.18694272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.833000Z",
"spacegroup": 221
},
{
"id": "mp-1188026",
"created_at": "2022-09-04T14:39:41.948361Z",
"structure_string": "Zr1 B1 O3\n1.0\n3.448181 0.000000 0.000000\n0.000000 3.448181 0.000000\n0.000000 0.000000 3.448181\nZr B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"B",
"O"
],
"chemical_system": "B-O-Zr",
"density": 6.076679151888352,
"density_atomic": 0.12195506467460333,
"volume": 40.99870729715771,
"volume_molar": 4.937999726430458,
"formula_full": "Zr1 B1 O3",
"formula_reduced": "ZrBO3",
"formula_anonymous": "ABC3",
"energy": -40.4929829,
"energy_per_atom": -8.09859658,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.4319829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.974000Z",
"spacegroup": 221
},
{
"id": "mp-1084",
"created_at": "2022-09-04T14:48:24.539561Z",
"structure_string": "Zr1 B12\n1.0\n0.000000 3.704406 3.704406\n3.704406 0.000000 3.704406\n3.704406 3.704406 0.000000\nZr B\n1 12\ndirect\n0.000000 0.000000 0.000000 Zr\n0.839084 0.160916 0.500000 B\n0.160916 0.839084 0.500000 B\n0.500000 0.839084 0.160916 B\n0.160916 0.500000 0.500000 B\n0.500000 0.500000 0.839084 B\n0.500000 0.500000 0.160916 B\n0.500000 0.839084 0.500000 B\n0.160916 0.500000 0.839084 B\n0.839084 0.500000 0.500000 B\n0.500000 0.160916 0.500000 B\n0.839084 0.500000 0.160916 B\n0.500000 0.160916 0.839084 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 3.608852766615364,
"density_atomic": 0.12786674792826944,
"volume": 101.66833997602511,
"volume_molar": 4.709700416701217,
"formula_full": "Zr1 B12",
"formula_reduced": "ZrB12",
"formula_anonymous": "AB12",
"energy": -91.45613101,
"energy_per_atom": -7.03508700076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.45613101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.76e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:19.366000Z",
"spacegroup": 225
},
{
"id": "mp-451",
"created_at": "2022-09-04T14:40:35.114750Z",
"structure_string": "Zr1 B1\n1.0\n0.000000 2.456321 2.456321\n2.456321 0.000000 2.456321\n2.456321 2.456321 0.000000\nZr B\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 5.716272279062423,
"density_atomic": 0.06747527083627418,
"volume": 29.640488659214327,
"volume_molar": 8.924959745048618,
"formula_full": "Zr1 B1",
"formula_reduced": "ZrB",
"formula_anonymous": "AB",
"energy": -15.97459057,
"energy_per_atom": -7.987295285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.97459057,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.310000Z",
"spacegroup": 225
},
{
"id": "mp-1018103",
"created_at": "2022-09-04T14:45:33.294902Z",
"structure_string": "Zr1 Au2\n1.0\n-1.804984 1.804984 4.431166\n1.804984 -1.804984 4.431166\n1.804984 1.804984 -4.431166\nZr Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.668193 0.668193 0.000000 Au\n0.331807 0.331807 0.000000 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Au"
],
"chemical_system": "Au-Zr",
"density": 13.95104689914139,
"density_atomic": 0.051951313270191334,
"volume": 57.746374656544866,
"volume_molar": 11.591893218713661,
"formula_full": "Zr1 Au2",
"formula_reduced": "ZrAu2",
"formula_anonymous": "AB2",
"energy": -16.8205248,
"energy_per_atom": -5.6068416,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.8205248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001883,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.688000Z",
"spacegroup": 139
},
{
"id": "mp-1215274",
"created_at": "2022-09-04T14:41:53.883502Z",
"structure_string": "Zr1 Au1\n1.0\n3.092836 0.000000 0.000000\n0.000000 3.092836 0.000000\n0.000000 0.000000 4.156837\nZr Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Au"
],
"chemical_system": "Au-Zr",
"density": 12.03516595589188,
"density_atomic": 0.05029828958864197,
"volume": 39.76278351325145,
"volume_molar": 11.972853966310378,
"formula_full": "Zr1 Au1",
"formula_reduced": "ZrAu",
"formula_anonymous": "AB",
"energy": -12.79047578,
"energy_per_atom": -6.39523789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79047578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0158535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.705000Z",
"spacegroup": 123
},
{
"id": "mp-961720",
"created_at": "2022-09-04T14:43:23.425696Z",
"structure_string": "Zr1 As1 Rh1\n1.0\n0.000000 3.141455 3.141455\n3.141455 0.000000 3.141455\n3.141455 3.141455 0.000000\nZr As Rh\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"As",
"Rh"
],
"chemical_system": "As-Rh-Zr",
"density": 7.205453913231117,
"density_atomic": 0.04838366137900872,
"volume": 62.00440219891155,
"volume_molar": 12.446641259383295,
"formula_full": "Zr1 As1 Rh1",
"formula_reduced": "ZrAsRh",
"formula_anonymous": "ABC",
"energy": -21.64702385,
"energy_per_atom": -7.215674616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.64702385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.247000Z",
"spacegroup": 216
},
{
"id": "mp-1093991",
"created_at": "2022-09-04T14:44:00.935075Z",
"structure_string": "Zr1 As1 Ir1\n1.0\n0.000000 3.085439 3.085439\n3.085439 0.000000 3.085439\n3.085439 3.085439 0.000000\nZr As Ir\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"As",
"Ir"
],
"chemical_system": "As-Ir-Zr",
"density": 10.129567120393528,
"density_atomic": 0.05106700229708002,
"volume": 58.746350188084925,
"volume_molar": 11.792626332296662,
"formula_full": "Zr1 As1 Ir1",
"formula_reduced": "ZrAsIr",
"formula_anonymous": "ABC",
"energy": -24.77621886,
"energy_per_atom": -8.25873962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.77621886,
"band_gap": 0.2694999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.475000Z",
"spacegroup": 216
},
{
"id": "mp-1093990",
"created_at": "2022-09-04T14:48:05.303175Z",
"structure_string": "Zr1 As1 Ir1\n1.0\n0.000000 3.060514 3.060514\n3.060514 0.000000 3.060514\n3.060514 3.060514 0.000000\nZr As Ir\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 As\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"As",
"Ir"
],
"chemical_system": "As-Ir-Zr",
"density": 10.379075454134838,
"density_atomic": 0.0523248687489105,
"volume": 57.33411419331015,
"volume_molar": 11.509136867400919,
"formula_full": "Zr1 As1 Ir1",
"formula_reduced": "ZrAsIr",
"formula_anonymous": "ABC",
"energy": -23.24975829,
"energy_per_atom": -7.749919429999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.24975829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.380000Z",
"spacegroup": 216
},
{
"id": "mp-10054",
"created_at": "2022-09-04T14:43:50.433294Z",
"structure_string": "Zr1 As1\n1.0\n0.000000 2.740602 2.740602\n2.740602 0.000000 2.740602\n2.740602 2.740602 0.000000\nZr As\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 6.701469344301193,
"density_atomic": 0.0485805121581953,
"volume": 41.16877140955809,
"volume_molar": 12.396206817231121,
"formula_full": "Zr1 As1",
"formula_reduced": "ZrAs",
"formula_anonymous": "AB",
"energy": -15.35822686,
"energy_per_atom": -7.67911343,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.35822686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001388,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.342000Z",
"spacegroup": 225
},
{
"id": "mp-1105077",
"created_at": "2022-09-04T14:40:31.888460Z",
"structure_string": "Zr1 Al8 Fe4\n1.0\n0.000000 0.000000 4.986739\n-4.278327 4.278327 2.493369\n-4.278327 -4.278327 2.493369\nZr Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.336736 0.663264 Al\n0.000000 0.663264 0.336736 Al\n0.663264 0.336736 0.336736 Al\n0.336736 0.663264 0.663264 Al\n0.500000 0.781935 0.218065 Al\n0.500000 0.218065 0.781935 Al\n0.718065 0.781935 0.781935 Al\n0.281935 0.218065 0.218065 Al\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Zr",
"density": 4.825075702796622,
"density_atomic": 0.0712112759604536,
"volume": 182.55535832863615,
"volume_molar": 8.456723571902195,
"formula_full": "Zr1 Al8 Fe4",
"formula_reduced": "Zr(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy": -77.98585548,
"energy_per_atom": -5.99891196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.98585548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4376471,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.676000Z",
"spacegroup": 139
},
{
"id": "mp-1215336",
"created_at": "2022-09-04T14:42:24.414319Z",
"structure_string": "Zr1 Al6 Mo1\n1.0\n3.875092 0.000000 0.000000\n0.000000 3.875092 0.000000\n0.000000 0.000000 8.694015\nZr Al Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.500000 0.242748 Al\n0.500000 0.000000 0.757252 Al\n0.500000 0.000000 0.242748 Al\n0.000000 0.500000 0.757252 Al\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Mo"
],
"chemical_system": "Al-Mo-Zr",
"density": 4.439727756244223,
"density_atomic": 0.061278138857766826,
"volume": 130.55226789065614,
"volume_molar": 9.827551672184494,
"formula_full": "Zr1 Al6 Mo1",
"formula_reduced": "ZrAl6Mo",
"formula_anonymous": "ABC6",
"energy": -44.91203424,
"energy_per_atom": -5.61400428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.91203424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.896000Z",
"spacegroup": 123
}
]
}