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=-volume&page=12111",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12109",
"results": [
{
"id": "mp-1018088",
"created_at": "2022-09-04T14:45:28.695608Z",
"structure_string": "C4\n1.0\n-2.061874 2.061874 2.061874\n2.061874 -2.061874 2.061874\n2.061874 2.061874 -2.061874\nC\n4\ndirect\n0.500000 0.000000 0.250000 C\n0.250000 0.500000 0.000000 C\n0.000000 0.250000 0.500000 C\n0.250000 0.250000 0.250000 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.2752600958372424,
"density_atomic": 0.11408108243048332,
"volume": 35.06278091669974,
"volume_molar": 5.278825052935192,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -31.69035403,
"energy_per_atom": -7.9225885075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.69035403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0256562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.493000Z",
"spacegroup": 214
},
{
"id": "mp-11555",
"created_at": "2022-09-04T14:46:34.587042Z",
"structure_string": "Pu1 Ru1\n1.0\n3.271976 0.000000 0.000000\n0.000000 3.271976 0.000000\n0.000000 0.000000 3.271976\nPu Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Ru"
],
"chemical_system": "Pu-Ru",
"density": 16.35784064122525,
"density_atomic": 0.057095209033036644,
"volume": 35.029208822806,
"volume_molar": 10.547541312118582,
"formula_full": "Pu1 Ru1",
"formula_reduced": "PuRu",
"formula_anonymous": "AB",
"energy": -23.71950551,
"energy_per_atom": -11.859752755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.71950551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.18239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.495000Z",
"spacegroup": 221
},
{
"id": "mp-1216383",
"created_at": "2022-09-04T14:39:08.269326Z",
"structure_string": "V1 Cr1 C2\n1.0\n4.813826 -1.460632 0.000000\n4.813826 1.460632 0.000000\n4.370635 0.000000 2.490767\nV Cr C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Cr\n0.248759 0.248759 0.248759 C\n0.751241 0.751241 0.751241 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"C"
],
"chemical_system": "C-Cr-V",
"density": 6.0189161382308605,
"density_atomic": 0.11419989199533066,
"volume": 35.02630282840854,
"volume_molar": 5.273333148376559,
"formula_full": "V1 Cr1 C2",
"formula_reduced": "VCrC2",
"formula_anonymous": "ABC2",
"energy": -37.60498569,
"energy_per_atom": -9.4012464225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.60498569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2494029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.634000Z",
"spacegroup": 166
},
{
"id": "mp-282",
"created_at": "2022-09-04T14:47:38.319020Z",
"structure_string": "Ti1 F2\n1.0\n0.000000 2.596574 2.596574\n2.596574 0.000000 2.596574\n2.596574 2.596574 0.000000\nTi F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 F\n0.750000 0.750000 0.750000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"F"
],
"chemical_system": "F-Ti",
"density": 4.072181500448822,
"density_atomic": 0.08568191150367704,
"volume": 35.01322446420041,
"volume_molar": 7.028485539496349,
"formula_full": "Ti1 F2",
"formula_reduced": "TiF2",
"formula_anonymous": "AB2",
"energy": -20.7632278,
"energy_per_atom": -6.921075933333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.8392278,
"band_gap": 0.4363999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0006539,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.614000Z",
"spacegroup": 225
},
{
"id": "mp-22672",
"created_at": "2022-09-04T14:44:17.330291Z",
"structure_string": "Ce1 C1\n1.0\n0.000000 2.596069 2.596069\n2.596069 0.000000 2.596069\n2.596069 2.596069 0.000000\nCe C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"C"
],
"chemical_system": "C-Ce",
"density": 7.218980231461603,
"density_atomic": 0.05715461534700054,
"volume": 34.99279958158199,
"volume_molar": 10.536578233337794,
"formula_full": "Ce1 C1",
"formula_reduced": "CeC",
"formula_anonymous": "AB",
"energy": -15.27295959,
"energy_per_atom": -7.636479795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.27295959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002697,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.812000Z",
"spacegroup": 225
},
{
"id": "mp-1210743",
"created_at": "2022-09-04T14:41:47.734453Z",
"structure_string": "Li2 C1\n1.0\n0.000000 2.595777 2.595777\n2.595777 0.000000 2.595777\n2.595777 2.595777 0.000000\nLi C\n2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"C"
],
"chemical_system": "C-Li",
"density": 1.2291200445334227,
"density_atomic": 0.085760858330831,
"volume": 34.980993175548726,
"volume_molar": 7.02201549425846,
"formula_full": "Li2 C1",
"formula_reduced": "Li2C",
"formula_anonymous": "AB2",
"energy": -10.3081968,
"energy_per_atom": -3.4360655999999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3081968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9325714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.065000Z",
"spacegroup": 225
},
{
"id": "mp-25223",
"created_at": "2022-09-04T14:46:06.383833Z",
"structure_string": "Mn1 O2\n1.0\n1.465554 -2.538414 0.000000\n1.465554 2.538414 0.000000\n0.000000 0.000000 4.697923\nMn O\n1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.666667 0.333333 0.295538 O\n0.333333 0.666667 0.704462 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.1300261671589675,
"density_atomic": 0.08582643732830315,
"volume": 34.95426459943111,
"volume_molar": 7.0166500526686395,
"formula_full": "Mn1 O2",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy": -24.41617479,
"energy_per_atom": -8.13872493,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.37417479,
"band_gap": 1.521,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999776,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.683000Z",
"spacegroup": 164
},
{
"id": "mp-1216398",
"created_at": "2022-09-04T14:39:44.295520Z",
"structure_string": "V1 Cr1 B2\n1.0\n1.496444 -3.971952 0.000000\n1.496444 3.971952 0.000000\n0.000000 0.000000 2.935626\nV Cr B\n1 1 2\ndirect\n0.852670 0.147330 0.500000 V\n0.146199 0.853801 0.000000 Cr\n0.437575 0.562425 0.000000 B\n0.563556 0.436444 0.500000 B\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Cr",
"B"
],
"chemical_system": "B-Cr-V",
"density": 5.92694804709105,
"density_atomic": 0.11462116265345786,
"volume": 34.897569588379405,
"volume_molar": 5.2539519060779005,
"formula_full": "V1 Cr1 B2",
"formula_reduced": "VCrB2",
"formula_anonymous": "ABC2",
"energy": -34.8407691,
"energy_per_atom": -8.710192275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.8407691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.131000Z",
"spacegroup": 38
},
{
"id": "mp-1017532",
"created_at": "2022-09-04T14:40:24.065818Z",
"structure_string": "V2 N2\n1.0\n1.377165 -2.385320 0.000000\n1.377165 2.385320 0.000000\n0.000000 0.000000 5.309682\nV N\n2 2\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"N"
],
"chemical_system": "N-V",
"density": 6.183225406111574,
"density_atomic": 0.1146644672501474,
"volume": 34.88439004625348,
"volume_molar": 5.251967679632034,
"formula_full": "V2 N2",
"formula_reduced": "VN",
"formula_anonymous": "AB",
"energy": -39.77703883,
"energy_per_atom": -9.9442597075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.05503883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.614000Z",
"spacegroup": 194
},
{
"id": "mp-1006882",
"created_at": "2022-09-04T14:48:06.054709Z",
"structure_string": "Cd1 C1\n1.0\n0.000000 2.593333 2.593333\n2.593333 0.000000 2.593333\n2.593333 2.593333 0.000000\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"C"
],
"chemical_system": "C-Cd",
"density": 5.922981461882066,
"density_atomic": 0.05733570284709312,
"volume": 34.88227928998691,
"volume_molar": 10.503299795696702,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
"formula_anonymous": "AB",
"energy": -5.93439696,
"energy_per_atom": -2.96719848,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.93439696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.822000Z",
"spacegroup": 216
},
{
"id": "mp-867271",
"created_at": "2022-09-04T14:44:53.412789Z",
"structure_string": "Be2 Co1 Ni1\n1.0\n0.000000 2.593327 2.593327\n2.593327 0.000000 2.593327\n2.593327 2.593327 0.000000\nBe Co Ni\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Ni"
],
"chemical_system": "Be-Co-Ni",
"density": 6.457584908192208,
"density_atomic": 0.11467220161775395,
"volume": 34.88203717700931,
"volume_molar": 5.2516134468875775,
"formula_full": "Be2 Co1 Ni1",
"formula_reduced": "Be2CoNi",
"formula_anonymous": "ABC2",
"energy": -22.04177422,
"energy_per_atom": -5.510443555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.04177422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.747000Z",
"spacegroup": 225
},
{
"id": "mp-1228707",
"created_at": "2022-09-04T14:48:15.852994Z",
"structure_string": "Au1 C1\n1.0\n-1.606944 -2.783308 0.000000\n-1.606944 2.783308 0.000000\n0.000000 0.000000 -3.897215\nAu C\n1 1\ndirect\n0.000000 0.000000 0.950010 Au\n0.000000 0.000000 0.449990 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Au",
"C"
],
"chemical_system": "Au-C",
"density": 9.954094866193968,
"density_atomic": 0.05736983809787384,
"volume": 34.86152421396011,
"volume_molar": 10.497050296230807,
"formula_full": "Au1 C1",
"formula_reduced": "AuC",
"formula_anonymous": "AB",
"energy": -8.2750032,
"energy_per_atom": -4.1375016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.2750032,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.289000Z",
"spacegroup": 191
}
]
}