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=-elements&page=12189",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12187",
"results": [
{
"id": "mp-24",
"created_at": "2022-09-04T14:43:04.661171Z",
"structure_string": "C8\n1.0\n-2.238470 2.238470 2.238470\n2.238470 -2.238470 2.238470\n2.238470 2.238470 -2.238470\nC\n8\ndirect\n0.500000 0.000000 0.688271 C\n0.688271 0.500000 0.000000 C\n0.000000 0.688271 0.500000 C\n0.811729 0.811729 0.811729 C\n0.500000 0.000000 0.311729 C\n0.311729 0.500000 0.000000 C\n0.000000 0.311729 0.500000 C\n0.188271 0.188271 0.188271 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.5562605942940047,
"density_atomic": 0.17831018912703478,
"volume": 44.86563577306569,
"volume_molar": 3.3773396739036623,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -67.14952989,
"energy_per_atom": -8.39369123625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.14952989,
"band_gap": 2.407,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.552000Z",
"spacegroup": 206
},
{
"id": "mp-569416",
"created_at": "2022-09-04T14:43:04.541412Z",
"structure_string": "C8\n1.0\n19.101325 -1.234578 0.000000\n19.101325 1.234578 0.000000\n19.021531 0.000000 2.136862\nC\n8\ndirect\n0.031609 0.031609 0.031609 C\n0.905413 0.905413 0.905413 C\n0.761271 0.761271 0.761271 C\n0.094587 0.094587 0.094587 C\n0.968391 0.968391 0.968391 C\n0.364913 0.364913 0.364913 C\n0.238729 0.238729 0.238729 C\n0.635087 0.635087 0.635087 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.5831384782625817,
"density_atomic": 0.07937824408206161,
"volume": 100.78328252927291,
"volume_molar": 7.586638920576629,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -73.5878218,
"energy_per_atom": -9.198477725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.5878218,
"band_gap": 0.1056000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.295000Z",
"spacegroup": 166
},
{
"id": "mp-1062055",
"created_at": "2022-09-04T14:43:05.784293Z",
"structure_string": "Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.104822986646732,
"density_atomic": 0.030936901568147854,
"volume": 96.97157271524414,
"volume_molar": 19.465882020325854,
"formula_full": "Br3",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -3.11029283,
"energy_per_atom": -1.0367642766666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.11029283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.63101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.895000Z",
"spacegroup": 221
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 5.030849068090698,
"density_atomic": 0.037916100872080034,
"volume": 26.374019928203158,
"volume_molar": 15.882806041468449,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -0.97066589,
"energy_per_atom": -0.97066589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.97066589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0652367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
},
{
"id": "mp-23154",
"created_at": "2022-09-04T14:46:53.538476Z",
"structure_string": "Br4\n1.0\n2.129324 -4.226095 0.000000\n2.129324 4.226095 0.000000\n0.000000 0.000000 8.743796\nBr\n4\ndirect\n0.642473 0.642473 0.117751 Br\n0.357527 0.357527 0.882249 Br\n0.857527 0.857527 0.617751 Br\n0.142473 0.142473 0.382249 Br\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.3726136434377976,
"density_atomic": 0.025418444754827914,
"volume": 157.36604023502463,
"volume_molar": 23.692011128478548,
"formula_full": "Br4",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -6.54773157,
"energy_per_atom": -1.6369328925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.54773157,
"band_gap": 1.4095,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009431,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.357000Z",
"spacegroup": 64
},
{
"id": "mp-673171",
"created_at": "2022-09-04T14:48:17.792638Z",
"structure_string": "Br1\n1.0\n-1.880400 1.880400 1.880400\n1.880400 -1.880400 1.880400\n1.880400 1.880400 -1.880400\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.988924128677636,
"density_atomic": 0.03760012434200997,
"volume": 26.595656729856003,
"volume_molar": 16.016278843183418,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.00736911,
"energy_per_atom": -1.00736911,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.00736911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4090095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:51.788000Z",
"spacegroup": 229
},
{
"id": "mp-1010048",
"created_at": "2022-09-04T14:41:52.170840Z",
"structure_string": "Br1\n1.0\n-1.437199 1.437199 4.380070\n1.437199 -1.437199 4.380070\n1.437199 1.437199 -4.380070\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.6664246398216287,
"density_atomic": 0.027632815972377392,
"volume": 36.188856068799886,
"volume_molar": 21.793438518969317,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.43585196,
"energy_per_atom": -1.43585196,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.43585196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008133,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.768000Z",
"spacegroup": 139
},
{
"id": "mp-998864",
"created_at": "2022-09-04T14:44:20.031647Z",
"structure_string": "Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.423121443241446,
"density_atomic": 0.025799107900603573,
"volume": 38.76103018184613,
"volume_molar": 23.342437975768583,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.55302833,
"energy_per_atom": -1.55302833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55302833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.553000Z",
"spacegroup": 71
},
{
"id": "mp-1120813",
"created_at": "2022-09-04T14:44:09.477625Z",
"structure_string": "Br32\n1.0\n0.000000 11.553357 16.012611\n7.047216 0.000000 16.012611\n7.047216 11.553357 0.000000\nBr\n32\ndirect\n0.327723 0.306405 0.263067 Br\n0.102804 0.263067 0.306405 Br\n0.263067 0.102804 0.327723 Br\n0.306405 0.327723 0.102804 Br\n0.922277 0.943595 0.986933 Br\n0.147196 0.986933 0.943595 Br\n0.986933 0.147196 0.922277 Br\n0.943595 0.922277 0.147196 Br\n0.337623 0.438763 0.412924 Br\n0.810690 0.412924 0.438763 Br\n0.412924 0.810690 0.337623 Br\n0.438763 0.337623 0.810690 Br\n0.912377 0.811237 0.837076 Br\n0.439310 0.837076 0.811237 Br\n0.837076 0.439310 0.912377 Br\n0.811237 0.912377 0.439310 Br\n0.498359 0.396418 0.342057 Br\n0.763166 0.342057 0.396418 Br\n0.342057 0.763166 0.498359 Br\n0.396418 0.498359 0.763166 Br\n0.751641 0.853582 0.907943 Br\n0.486834 0.907943 0.853582 Br\n0.907943 0.486834 0.751641 Br\n0.853582 0.751641 0.486834 Br\n0.505913 0.521978 0.074732 Br\n0.897378 0.074732 0.521978 Br\n0.074732 0.897378 0.505913 Br\n0.521978 0.505913 0.897378 Br\n0.744087 0.728022 0.175268 Br\n0.352622 0.175268 0.728022 Br\n0.175268 0.352622 0.744087 Br\n0.728022 0.744087 0.352622 Br\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 1.6283571714789462,
"density_atomic": 0.0122724720884943,
"volume": 2607.4616238076983,
"volume_molar": 49.07031539021289,
"formula_full": "Br32",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -48.74755425,
"energy_per_atom": -1.5233610703125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.74755425,
"band_gap": 1.4606,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0118096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.821000Z",
"spacegroup": 70
},
{
"id": "mp-568087",
"created_at": "2022-09-04T14:43:55.399579Z",
"structure_string": "Bi4\n1.0\n-4.449748 4.449748 2.065632\n4.449748 -4.449748 2.065632\n4.449748 4.449748 -2.065632\nBi\n4\ndirect\n0.354344 0.854344 0.208689 Bi\n0.645656 0.145656 0.791311 Bi\n0.854344 0.645656 0.500000 Bi\n0.145656 0.354344 0.500000 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 8.484590133194276,
"density_atomic": 0.024449850842787436,
"volume": 163.60018004690514,
"volume_molar": 24.630582815095156,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -14.68937008,
"energy_per_atom": -3.67234252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.68937008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.03e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.798000Z",
"spacegroup": 140
},
{
"id": "mp-1096851",
"created_at": "2022-09-04T14:42:53.607398Z",
"structure_string": "Bi2\n1.0\n3.174595 0.000000 0.000000\n0.000000 3.464599 0.000000\n0.000000 0.000000 6.466649\nBi\n2\ndirect\n0.102802 0.000000 0.250000 Bi\n0.897198 0.000000 0.750000 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.75807286887985,
"density_atomic": 0.02811961714258334,
"volume": 71.12472370654264,
"volume_molar": 21.416154883845433,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -7.58197212,
"energy_per_atom": -3.79098606,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.58197212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.504000Z",
"spacegroup": 51
},
{
"id": "mp-23152",
"created_at": "2022-09-04T14:39:37.824738Z",
"structure_string": "Bi2\n1.0\n4.207773 -2.304793 0.000000\n4.207773 2.304793 0.000000\n2.945330 0.000000 3.787143\nBi\n2\ndirect\n0.732784 0.732784 0.732784 Bi\n0.267216 0.267216 0.267216 Bi\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.44840978387041,
"density_atomic": 0.02722726805781408,
"volume": 73.45577219694691,
"volume_molar": 22.118049990225437,
"formula_full": "Bi2",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -7.78006862,
"energy_per_atom": -3.89003431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.78006862,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.757000Z",
"spacegroup": 166
}
]
}