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_molar&page=85",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=83",
"results": [
{
"id": "mp-1097391",
"created_at": "2022-09-04T14:44:19.977502Z",
"structure_string": "Sc2 In1 Pt1\n1.0\n-5.328562 5.976856 8.449672\n5.328562 -5.976856 8.449672\n5.328562 5.976856 -8.449672\nSc In Pt\n2 1 1\ndirect\n0.000000 0.274887 0.274887 Sc\n0.000000 0.725113 0.725113 Sc\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Pt"
],
"chemical_system": "In-Pt-Sc",
"density": 0.6167714264993092,
"density_atomic": 0.0037160139299319585,
"volume": 1076.422229685571,
"volume_molar": 162.05915460898896,
"formula_full": "Sc2 In1 Pt1",
"formula_reduced": "Sc2InPt",
"formula_anonymous": "ABC2",
"energy": -14.78421519,
"energy_per_atom": -3.6960537975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.78421519,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000211,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.844000Z",
"spacegroup": 71
},
{
"id": "mp-1097480",
"created_at": "2022-09-04T14:48:09.759013Z",
"structure_string": "Mg1 Sc2 Ir1\n1.0\n-5.452479 5.921200 8.334032\n5.452479 -5.921200 8.334032\n5.452479 5.921200 -8.334032\nMg Sc Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.290354 0.290354 Sc\n0.000000 0.709646 0.709646 Sc\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Ir"
],
"chemical_system": "Ir-Mg-Sc",
"density": 0.47278850749315293,
"density_atomic": 0.0037165596221101402,
"volume": 1076.2641815844008,
"volume_molar": 162.03535991118653,
"formula_full": "Mg1 Sc2 Ir1",
"formula_reduced": "MgSc2Ir",
"formula_anonymous": "ABC2",
"energy": -15.06540913,
"energy_per_atom": -3.7663522825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.06540913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.011000Z",
"spacegroup": 71
},
{
"id": "mp-1097460",
"created_at": "2022-09-04T14:43:18.884681Z",
"structure_string": "Li1 Sc1 Ag2\n1.0\n-5.449208 5.932153 8.323306\n5.449208 -5.932153 8.323306\n5.449208 5.932153 -8.323306\nLi Sc Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sc\n0.000000 0.244292 0.244292 Ag\n0.000000 0.755708 0.755708 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Ag"
],
"chemical_system": "Ag-Li-Sc",
"density": 0.41294069470496364,
"density_atomic": 0.0037167077167207913,
"volume": 1076.2212971455162,
"volume_molar": 162.02890350800214,
"formula_full": "Li1 Sc1 Ag2",
"formula_reduced": "LiScAg2",
"formula_anonymous": "ABC2",
"energy": -8.16715848,
"energy_per_atom": -2.04178962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.16715848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.846371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.278000Z",
"spacegroup": 71
},
{
"id": "mp-1097541",
"created_at": "2022-09-04T14:43:09.420048Z",
"structure_string": "Mg2 Hg1 Pd1\n1.0\n-5.532269 5.867259 8.284739\n5.532269 -5.867259 8.284739\n5.532269 5.867259 -8.284739\nMg Hg Pd\n2 1 1\ndirect\n0.000000 0.224650 0.224650 Mg\n0.000000 0.775350 0.775350 Mg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Hg",
"Pd"
],
"chemical_system": "Hg-Mg-Pd",
"density": 0.5489817456681741,
"density_atomic": 0.00371862701560853,
"volume": 1075.6658259111327,
"volume_molar": 161.94527535896242,
"formula_full": "Mg2 Hg1 Pd1",
"formula_reduced": "Mg2HgPd",
"formula_anonymous": "ABC2",
"energy": -4.97436321,
"energy_per_atom": -1.2435908025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.97436321,
"band_gap": 0.5150000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.158000Z",
"spacegroup": 71
},
{
"id": "mp-1095850",
"created_at": "2022-09-04T14:40:38.712294Z",
"structure_string": "Li1 Sc2 Ga1\n1.0\n-5.718306 5.852933 8.032961\n5.718306 -5.852933 8.032961\n5.718306 5.852933 -8.032961\nLi Sc Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.721416 0.000000 0.721416 Sc\n0.278584 0.000000 0.278584 Sc\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Ga"
],
"chemical_system": "Ga-Li-Sc",
"density": 0.2572080006419708,
"density_atomic": 0.0037194900143478196,
"volume": 1075.4162491551588,
"volume_molar": 161.90770070008995,
"formula_full": "Li1 Sc2 Ga1",
"formula_reduced": "LiSc2Ga",
"formula_anonymous": "ABC2",
"energy": -9.21942715,
"energy_per_atom": -2.3048567875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.21942715,
"band_gap": 0.2407000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003958,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.409000Z",
"spacegroup": 71
},
{
"id": "mp-1093716",
"created_at": "2022-09-04T14:42:55.448472Z",
"structure_string": "Y1 Pd1 Au2\n1.0\n-5.218670 6.040731 8.525827\n5.218670 -6.040731 8.525827\n5.218670 6.040731 -8.525827\nY Pd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Pd\n0.000000 0.251801 0.251801 Au\n0.000000 0.748199 0.748199 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Pd",
"Au"
],
"chemical_system": "Au-Pd-Y",
"density": 0.9101426658516264,
"density_atomic": 0.003720610026458694,
"volume": 1075.092517505048,
"volume_molar": 161.85896176095406,
"formula_full": "Y1 Pd1 Au2",
"formula_reduced": "YPdAu2",
"formula_anonymous": "ABC2",
"energy": -12.77394645,
"energy_per_atom": -3.1934866125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.77394645,
"band_gap": 0.0762,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.496000Z",
"spacegroup": 71
},
{
"id": "mp-1097183",
"created_at": "2022-09-04T14:41:35.270972Z",
"structure_string": "Li1 Pb1 Au2\n1.0\n-5.281349 5.997587 8.481456\n5.281349 -5.997587 8.481456\n5.281349 5.997587 -8.481456\nLi Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pb\n0.000000 0.238679 0.238679 Au\n0.000000 0.761321 0.761321 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pb",
"Au"
],
"chemical_system": "Au-Li-Pb",
"density": 0.9396233524684197,
"density_atomic": 0.0037222724916502795,
"volume": 1074.6123527959635,
"volume_molar": 161.7866712743018,
"formula_full": "Li1 Pb1 Au2",
"formula_reduced": "LiPbAu2",
"formula_anonymous": "ABC2",
"energy": -8.65487493,
"energy_per_atom": -2.1637187325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.65487493,
"band_gap": 0.0362,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.508000Z",
"spacegroup": 71
},
{
"id": "mp-1096019",
"created_at": "2022-09-04T14:48:17.813727Z",
"structure_string": "Sc2 In1 Os1\n1.0\n-5.248537 6.010855 8.495741\n5.248537 -6.010855 8.495741\n5.248537 6.010855 -8.495741\nSc In Os\n2 1 1\ndirect\n0.000000 0.286288 0.286288 Sc\n0.000000 0.713712 0.713712 Sc\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Os"
],
"chemical_system": "In-Os-Sc",
"density": 0.6117391115074318,
"density_atomic": 0.0037309911695405196,
"volume": 1072.1011705027995,
"volume_molar": 161.40860394321547,
"formula_full": "Sc2 In1 Os1",
"formula_reduced": "Sc2InOs",
"formula_anonymous": "ABC2",
"energy": -17.14294943,
"energy_per_atom": -4.2857373575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.14294943,
"band_gap": 0.1000999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8372321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:58.578000Z",
"spacegroup": 71
},
{
"id": "mp-1097432",
"created_at": "2022-09-04T14:41:47.641377Z",
"structure_string": "Hf2 In1 Mo1\n1.0\n-5.220392 5.991354 8.557942\n5.220392 -5.991354 8.557942\n5.220392 5.991354 -8.557942\nHf In Mo\n2 1 1\ndirect\n0.000000 0.221702 0.221702 Hf\n0.000000 0.778298 0.778298 Hf\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Mo"
],
"chemical_system": "Hf-In-Mo",
"density": 0.880520830812476,
"density_atomic": 0.003735962987925661,
"volume": 1070.6744185977445,
"volume_molar": 161.1938014231695,
"formula_full": "Hf2 In1 Mo1",
"formula_reduced": "Hf2InMo",
"formula_anonymous": "ABC2",
"energy": -19.74972475,
"energy_per_atom": -4.9374311875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.74972475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4567644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.900000Z",
"spacegroup": 71
},
{
"id": "mp-1093593",
"created_at": "2022-09-04T14:46:55.973243Z",
"structure_string": "Y2 Zn1 Cu1\n1.0\n-5.722631 5.756941 8.114021\n5.722631 -5.756941 8.114021\n5.722631 5.756941 -8.114021\nY Zn Cu\n2 1 1\ndirect\n0.242136 0.000000 0.242136 Y\n0.757864 0.000000 0.757864 Y\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Cu"
],
"chemical_system": "Cu-Y-Zn",
"density": 0.4764021047220208,
"density_atomic": 0.0037409021696132227,
"volume": 1069.2607875424783,
"volume_molar": 160.98097429323147,
"formula_full": "Y2 Zn1 Cu1",
"formula_reduced": "Y2ZnCu",
"formula_anonymous": "ABC2",
"energy": -9.37682148,
"energy_per_atom": -2.34420537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.37682148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9788282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.896000Z",
"spacegroup": 71
},
{
"id": "mp-1093876",
"created_at": "2022-09-04T14:47:57.384623Z",
"structure_string": "Ca1 Tl1 Pd2\n1.0\n-5.163044 6.050261 8.554842\n5.163044 -6.050261 8.554842\n5.163044 6.050261 -8.554842\nCa Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.241773 0.241773 Pd\n0.000000 0.758227 0.758227 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Pd"
],
"chemical_system": "Ca-Pd-Tl",
"density": 0.7103945371137032,
"density_atomic": 0.003742036945105718,
"volume": 1068.9365334117497,
"volume_molar": 160.9321566928,
"formula_full": "Ca1 Tl1 Pd2",
"formula_reduced": "CaTlPd2",
"formula_anonymous": "ABC2",
"energy": -10.80484176,
"energy_per_atom": -2.70121044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.80484176,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.692000Z",
"spacegroup": 71
},
{
"id": "mp-1096057",
"created_at": "2022-09-04T14:44:04.300054Z",
"structure_string": "Sc2 Tl1 Cu1\n1.0\n-5.469016 5.909638 8.254657\n5.469016 -5.909638 8.254657\n5.469016 5.909638 -8.254657\nSc Tl Cu\n2 1 1\ndirect\n0.000000 0.232619 0.232619 Sc\n0.000000 0.767381 0.767381 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Cu"
],
"chemical_system": "Cu-Sc-Tl",
"density": 0.5568141341558951,
"density_atomic": 0.003748270245432297,
"volume": 1067.1589128010353,
"volume_molar": 160.66452965441,
"formula_full": "Sc2 Tl1 Cu1",
"formula_reduced": "Sc2TlCu",
"formula_anonymous": "ABC2",
"energy": -10.73656072,
"energy_per_atom": -2.68414018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.73656072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0009266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.999000Z",
"spacegroup": 71
}
]
}