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=11557",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=11555",
"results": [
{
"id": "mp-1105699",
"created_at": "2022-09-04T14:46:52.416061Z",
"structure_string": "In8 O12\n1.0\n3.187467 0.000000 0.000000\n0.000000 8.545136 0.000000\n0.000000 0.000000 8.887959\nIn O\n8 12\ndirect\n0.250000 0.814891 0.487580 In\n0.250000 0.314891 0.012420 In\n0.750000 0.185109 0.512420 In\n0.750000 0.685109 0.987580 In\n0.250000 0.991913 0.813026 In\n0.250000 0.491913 0.686974 In\n0.750000 0.008087 0.186974 In\n0.750000 0.508087 0.313026 In\n0.250000 0.724078 0.820281 O\n0.250000 0.224078 0.679719 O\n0.750000 0.275922 0.179719 O\n0.750000 0.775922 0.320281 O\n0.250000 0.053613 0.371971 O\n0.250000 0.553613 0.128029 O\n0.750000 0.946387 0.628029 O\n0.750000 0.446387 0.871971 O\n0.250000 0.387187 0.438739 O\n0.250000 0.887187 0.061261 O\n0.750000 0.612813 0.561261 O\n0.750000 0.112813 0.938739 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"In",
"O"
],
"chemical_system": "In-O",
"density": 7.617550341674249,
"density_atomic": 0.08261583122648704,
"volume": 242.08435239453118,
"volume_molar": 7.289330229566549,
"formula_full": "In8 O12",
"formula_reduced": "In2O3",
"formula_anonymous": "A2B3",
"energy": -116.40671041000002,
"energy_per_atom": -5.8203355205000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.16271041,
"band_gap": 0.2217000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.107000Z",
"spacegroup": 62
},
{
"id": "mp-641509",
"created_at": "2022-09-04T14:46:19.545481Z",
"structure_string": "In9 Ni13\n1.0\n4.228983 5.263345 0.000000\n-4.228983 5.263345 0.000000\n0.000000 5.247176 7.412806\nIn Ni\n9 13\ndirect\n0.252026 0.831022 0.190109 In\n0.172193 0.172193 0.385719 In\n0.285180 0.285180 0.667750 In\n0.831022 0.252026 0.190109 In\n0.714820 0.714820 0.332250 In\n0.500000 0.500000 0.000000 In\n0.747974 0.168978 0.809891 In\n0.168978 0.747974 0.809891 In\n0.827807 0.827807 0.614281 In\n0.546034 0.064943 0.159182 Ni\n0.500000 0.000000 0.500000 Ni\n0.544696 0.544696 0.677096 Ni\n0.064943 0.546034 0.159182 Ni\n0.455304 0.455304 0.322904 Ni\n0.266414 0.733586 0.500000 Ni\n0.258637 0.258637 0.979521 Ni\n0.935057 0.453966 0.840818 Ni\n0.741363 0.741363 0.020479 Ni\n0.453966 0.935057 0.840818 Ni\n0.733586 0.266414 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 22,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.039324611666226,
"density_atomic": 0.06666720893558724,
"volume": 329.9973157906766,
"volume_molar": 9.033137664152843,
"formula_full": "In9 Ni13",
"formula_reduced": "In9Ni13",
"formula_anonymous": "A9B13",
"energy": -102.30703624,
"energy_per_atom": -4.650319829090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.30703624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.580000Z",
"spacegroup": 12
},
{
"id": "mp-1184929",
"created_at": "2022-09-04T14:43:58.682440Z",
"structure_string": "In3 Ni1\n1.0\n-2.154918 2.154918 4.533708\n2.154918 -2.154918 4.533708\n2.154918 2.154918 -4.533708\nIn Ni\n3 1\ndirect\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 7.949465455094601,
"density_atomic": 0.0474990536502341,
"volume": 84.21220408841316,
"volume_molar": 12.67844366825679,
"formula_full": "In3 Ni1",
"formula_reduced": "In3Ni",
"formula_anonymous": "AB3",
"energy": -13.16995318,
"energy_per_atom": -3.292488295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.16995318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.412000Z",
"spacegroup": 139
},
{
"id": "mp-1184852",
"created_at": "2022-09-04T14:45:55.518869Z",
"structure_string": "In3 Ni1\n1.0\n4.422626 0.000000 0.000000\n0.000000 4.422626 0.000000\n0.000000 0.000000 4.422626\nIn Ni\n3 1\ndirect\n0.000000 0.500000 0.500000 In\n0.500000 0.000000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 7.738776719306152,
"density_atomic": 0.04624016201516171,
"volume": 86.50488721662434,
"volume_molar": 13.02361518116091,
"formula_full": "In3 Ni1",
"formula_reduced": "In3Ni",
"formula_anonymous": "AB3",
"energy": -13.14139237,
"energy_per_atom": -3.2853480925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.14139237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.906000Z",
"spacegroup": 221
},
{
"id": "mp-22784",
"created_at": "2022-09-04T14:44:27.691524Z",
"structure_string": "In1 Ni3\n1.0\n3.729614 0.000000 0.000000\n0.000000 3.729614 0.000000\n0.000000 0.000000 3.729614\nIn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.311045999357788,
"density_atomic": 0.07710247729321791,
"volume": 51.87900752900774,
"volume_molar": 7.81056714571961,
"formula_full": "In1 Ni3",
"formula_reduced": "InNi3",
"formula_anonymous": "AB3",
"energy": -20.25899064,
"energy_per_atom": -5.06474766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.25899064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6936728,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.129000Z",
"spacegroup": 221
},
{
"id": "mp-19876",
"created_at": "2022-09-04T14:47:38.105571Z",
"structure_string": "In3 Ni3\n1.0\n2.636069 -4.565805 0.000000\n2.636069 4.565805 0.000000\n0.000000 0.000000 4.372943\nIn Ni\n3 3\ndirect\n0.000000 0.000000 0.000000 In\n0.666667 0.333333 0.500000 In\n0.333333 0.666667 0.500000 In\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 8.211460739203861,
"density_atomic": 0.05699979647883466,
"volume": 105.26353374310624,
"volume_molar": 10.565196951599924,
"formula_full": "In3 Ni3",
"formula_reduced": "InNi",
"formula_anonymous": "AB",
"energy": -26.64398631,
"energy_per_atom": -4.440664385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.64398631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003233,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.897000Z",
"spacegroup": 191
},
{
"id": "mp-1224107",
"created_at": "2022-09-04T14:41:56.929308Z",
"structure_string": "In1 Ni4\n1.0\n-2.108546 -1.490542 1.490542\n-2.108546 1.490542 -1.490542\n-2.108546 -5.023658 -5.023658\nIn Ni\n1 4\ndirect\n0.000000 0.000000 0.000000 In\n0.383257 0.383257 0.233487 Ni\n0.792755 0.792755 0.414489 Ni\n0.207245 0.207245 0.585511 Ni\n0.616743 0.616743 0.766513 Ni\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.191845821189078,
"density_atomic": 0.07917036536139281,
"volume": 63.15494411546867,
"volume_molar": 7.606559263065721,
"formula_full": "In1 Ni4",
"formula_reduced": "InNi4",
"formula_anonymous": "AB4",
"energy": -25.66382709,
"energy_per_atom": -5.132765418,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.66382709,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.211858,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.629000Z",
"spacegroup": 139
},
{
"id": "mp-21092",
"created_at": "2022-09-04T14:42:19.092260Z",
"structure_string": "In2 Ni4\n1.0\n2.153680 -3.730284 0.000000\n2.153680 3.730284 0.000000\n0.000000 0.000000 5.253157\nIn Ni\n2 4\ndirect\n0.333333 0.666667 0.250000 In\n0.666667 0.333333 0.750000 In\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.136436439722585,
"density_atomic": 0.07108497279619119,
"volume": 84.4060251271769,
"volume_molar": 8.471749405132604,
"formula_full": "In2 Ni4",
"formula_reduced": "InNi2",
"formula_anonymous": "AB2",
"energy": -28.72027874,
"energy_per_atom": -4.7867131233333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.72027874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010122,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.335000Z",
"spacegroup": 194
},
{
"id": "mp-1223768",
"created_at": "2022-09-04T14:46:56.890911Z",
"structure_string": "In1 Ni3\n1.0\n-1.990962 -1.990962 0.000000\n0.000000 1.990962 -1.990962\n3.294028 -5.284989 -5.284989\nIn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 In\n0.487865 0.243932 0.268203 Ni\n0.000000 0.500000 0.500000 Ni\n0.512135 0.756068 0.731797 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 8.789728317989644,
"density_atomic": 0.07278557404808168,
"volume": 54.95594494257372,
"volume_molar": 8.273810901074729,
"formula_full": "In1 Ni3",
"formula_reduced": "InNi3",
"formula_anonymous": "AB3",
"energy": -18.91036185,
"energy_per_atom": -4.7275904625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.91036185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3099343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.102000Z",
"spacegroup": 166
},
{
"id": "mp-1212307",
"created_at": "2022-09-04T14:45:54.538190Z",
"structure_string": "In14 Ni6\n1.0\n-4.652082 4.652082 4.652082\n4.652082 -4.652082 4.652082\n4.652082 4.652082 -4.652082\nIn Ni\n14 6\ndirect\n0.500000 0.750000 0.250000 In\n0.500000 0.250000 0.750000 In\n0.250000 0.500000 0.750000 In\n0.750000 0.500000 0.250000 In\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 In\n0.322167 0.322167 0.322167 In\n0.677833 0.677833 0.677833 In\n0.000000 0.000000 0.677833 In\n0.000000 0.677833 0.000000 In\n0.000000 0.000000 0.322167 In\n0.000000 0.322167 0.000000 In\n0.677833 0.000000 0.000000 In\n0.322167 0.000000 0.000000 In\n0.000000 0.356055 0.356055 Ni\n0.000000 0.643945 0.643945 Ni\n0.356055 0.000000 0.356055 Ni\n0.643945 0.000000 0.643945 Ni\n0.356055 0.356055 0.000000 Ni\n0.643945 0.643945 0.000000 Ni\n",
"nsites": 20,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 8.080108664583527,
"density_atomic": 0.04966242482547399,
"volume": 402.7189584536988,
"volume_molar": 12.126151272643831,
"formula_full": "In14 Ni6",
"formula_reduced": "In7Ni3",
"formula_anonymous": "A3B7",
"energy": -76.04065846,
"energy_per_atom": -3.802032923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.04065846,
"band_gap": 0.8483999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.183000Z",
"spacegroup": 229
},
{
"id": "mp-21385",
"created_at": "2022-09-04T14:47:19.959663Z",
"structure_string": "In3 Ni2\n1.0\n2.223462 -3.851150 0.000000\n2.223462 3.851150 0.000000\n0.000000 0.000000 5.320177\nIn Ni\n3 2\ndirect\n0.000000 0.000000 0.000000 In\n0.666667 0.333333 0.354628 In\n0.333333 0.666667 0.645372 In\n0.666667 0.333333 0.860180 Ni\n0.333333 0.666667 0.139820 Ni\n",
"nsites": 5,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 8.417152025935957,
"density_atomic": 0.054877432132482265,
"volume": 91.1121349105632,
"volume_molar": 10.973802027510432,
"formula_full": "In3 Ni2",
"formula_reduced": "In3Ni2",
"formula_anonymous": "A2B3",
"energy": -20.56878676,
"energy_per_atom": -4.1137573519999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.56878676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019256,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.254000Z",
"spacegroup": 164
},
{
"id": "mp-20997",
"created_at": "2022-09-04T14:44:30.034042Z",
"structure_string": "In1 Ni1\n1.0\n3.147263 0.000000 0.000000\n0.000000 3.147263 0.000000\n0.000000 0.000000 3.147263\nIn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Ni"
],
"chemical_system": "In-Ni",
"density": 9.242256197912074,
"density_atomic": 0.06415505584421913,
"volume": 31.174472123543723,
"volume_molar": 9.38685296233382,
"formula_full": "In1 Ni1",
"formula_reduced": "InNi",
"formula_anonymous": "AB",
"energy": -8.69687794,
"energy_per_atom": -4.34843897,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.69687794,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006807,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.159000Z",
"spacegroup": 221
}
]
}