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=133",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=131",
"results": [
{
"id": "mp-1097329",
"created_at": "2022-09-04T14:42:47.422526Z",
"structure_string": "Ta1 Ti1 Nb2\n1.0\n-4.672621 5.614219 7.933111\n4.672621 -5.614219 7.933111\n4.672621 5.614219 -7.933111\nTa Ti Nb\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245714 0.245714 Nb\n0.000000 0.754286 0.754286 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"Nb"
],
"chemical_system": "Nb-Ta-Ti",
"density": 0.8270921878795752,
"density_atomic": 0.004805145724128231,
"volume": 832.4409351239178,
"volume_molar": 125.32691214255654,
"formula_full": "Ta1 Ti1 Nb2",
"formula_reduced": "TaTiNb2",
"formula_anonymous": "ABC2",
"energy": -22.25993147,
"energy_per_atom": -5.5649828675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.25993147,
"band_gap": 0.0997999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.003765,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.804000Z",
"spacegroup": 71
},
{
"id": "mp-1097152",
"created_at": "2022-09-04T14:45:35.961207Z",
"structure_string": "Mn2 Al1 Mo1\n1.0\n-5.223346 5.367287 7.420261\n5.223346 -5.367287 7.420261\n5.223346 5.367287 -7.420261\nMn Al Mo\n2 1 1\ndirect\n0.769125 0.000000 0.769125 Mn\n0.230875 0.000000 0.230875 Mn\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Mo"
],
"chemical_system": "Al-Mn-Mo",
"density": 0.4645632628790621,
"density_atomic": 0.004807034124486623,
"volume": 832.1139181484774,
"volume_molar": 125.27767858613123,
"formula_full": "Mn2 Al1 Mo1",
"formula_reduced": "Mn2AlMo",
"formula_anonymous": "ABC2",
"energy": -19.94838863,
"energy_per_atom": -4.9870971575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.94838863,
"band_gap": 0.4478,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.9997688,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.147000Z",
"spacegroup": 71
},
{
"id": "mp-1093916",
"created_at": "2022-09-04T14:42:39.176006Z",
"structure_string": "Hf1 Zr1 Co2\n1.0\n-4.449838 5.506383 8.487875\n4.449838 -5.506383 8.487875\n4.449838 5.506383 -8.487875\nHf Zr Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Zr\n0.000000 0.748669 0.748669 Co\n0.000000 0.251331 0.251331 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"Co"
],
"chemical_system": "Co-Hf-Zr",
"density": 0.7736442645699277,
"density_atomic": 0.004808287293396692,
"volume": 831.8970468951122,
"volume_molar": 125.24502785576716,
"formula_full": "Hf1 Zr1 Co2",
"formula_reduced": "HfZrCo2",
"formula_anonymous": "ABC2",
"energy": -20.18696816,
"energy_per_atom": -5.04674204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.18696816,
"band_gap": 0.3569,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0054964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.038000Z",
"spacegroup": 71
},
{
"id": "mp-1096398",
"created_at": "2022-09-04T14:41:25.292279Z",
"structure_string": "Zr2 Fe1 Co1\n1.0\n-4.244825 5.886921 8.316348\n4.244825 -5.886921 8.316348\n4.244825 5.886921 -8.316348\nZr Fe Co\n2 1 1\ndirect\n0.000000 0.245658 0.245658 Zr\n0.000000 0.754342 0.754342 Zr\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Zr",
"density": 0.5937389436932989,
"density_atomic": 0.004811930516219008,
"volume": 831.2671985843666,
"volume_molar": 125.15020197614824,
"formula_full": "Zr2 Fe1 Co1",
"formula_reduced": "Zr2FeCo",
"formula_anonymous": "ABC2",
"energy": -20.015185,
"energy_per_atom": -5.00379625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.015185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0169478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.703000Z",
"spacegroup": 71
},
{
"id": "mp-1097311",
"created_at": "2022-09-04T14:41:56.437080Z",
"structure_string": "Si2 Tc1 Ru1\n1.0\n-4.581302 5.467458 8.294527\n4.581302 -5.467458 8.294527\n4.581302 5.467458 -8.294527\nSi Tc Ru\n2 1 1\ndirect\n0.000000 0.252504 0.252504 Si\n0.000000 0.747496 0.747496 Si\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"Tc",
"Ru"
],
"chemical_system": "Ru-Si-Tc",
"density": 0.5100039519469907,
"density_atomic": 0.004813200994891,
"volume": 831.0477796887815,
"volume_molar": 125.11716768928277,
"formula_full": "Si2 Tc1 Ru1",
"formula_reduced": "Si2TcRu",
"formula_anonymous": "ABC2",
"energy": -19.27426944,
"energy_per_atom": -4.81856736,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.27426944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8416215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.335000Z",
"spacegroup": 71
},
{
"id": "mp-1096348",
"created_at": "2022-09-04T14:39:49.390001Z",
"structure_string": "Li2 Al1 Au1\n1.0\n-5.264389 5.313405 7.426382\n5.264389 -5.313405 7.426382\n5.264389 5.313405 -7.426382\nLi Al Au\n2 1 1\ndirect\n0.265288 0.000000 0.265288 Li\n0.734712 0.000000 0.734712 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Au"
],
"chemical_system": "Al-Au-Li",
"density": 0.47528899717006634,
"density_atomic": 0.004813952737120178,
"volume": 830.91800406684,
"volume_molar": 125.09762951271908,
"formula_full": "Li2 Al1 Au1",
"formula_reduced": "Li2AlAu",
"formula_anonymous": "ABC2",
"energy": -7.04611775,
"energy_per_atom": -1.7615294375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.04611775,
"band_gap": 0.7462999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.591000Z",
"spacegroup": 71
},
{
"id": "mp-1093842",
"created_at": "2022-09-04T14:41:19.126929Z",
"structure_string": "Zr2 Mo1 Ir1\n1.0\n-4.664007 5.590479 7.966333\n4.664007 -5.590479 7.966333\n4.664007 5.590479 -7.966333\nZr Mo Ir\n2 1 1\ndirect\n0.000000 0.248470 0.248470 Zr\n0.000000 0.751530 0.751530 Zr\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mo",
"Ir"
],
"chemical_system": "Ir-Mo-Zr",
"density": 0.9405436872233014,
"density_atomic": 0.004814301996235077,
"volume": 830.8577241577523,
"volume_molar": 125.08855416028092,
"formula_full": "Zr2 Mo1 Ir1",
"formula_reduced": "Zr2MoIr",
"formula_anonymous": "ABC2",
"energy": -23.21067502,
"energy_per_atom": -5.802668755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.21067502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0060986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.239000Z",
"spacegroup": 71
},
{
"id": "mp-1095957",
"created_at": "2022-09-04T14:44:58.001479Z",
"structure_string": "Mg1 Os2 W1\n1.0\n-4.912532 5.466342 7.735007\n4.912532 -5.466342 7.735007\n4.912532 5.466342 -7.735007\nMg Os W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.276217 0.276217 Os\n0.000000 0.723783 0.723783 Os\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Os",
"W"
],
"chemical_system": "Mg-Os-W",
"density": 1.1763868195956182,
"density_atomic": 0.004814343757366481,
"volume": 830.8505170366274,
"volume_molar": 125.0874691028337,
"formula_full": "Mg1 Os2 W1",
"formula_reduced": "MgOs2W",
"formula_anonymous": "ABC2",
"energy": -21.22901126,
"energy_per_atom": -5.307252815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.22901126,
"band_gap": 0.0374999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1210449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.848000Z",
"spacegroup": 71
},
{
"id": "mp-1096212",
"created_at": "2022-09-04T14:47:26.379190Z",
"structure_string": "Mn1 Zn1 Au2\n1.0\n-5.111658 5.359452 7.579898\n5.111658 -5.359452 7.579898\n5.111658 5.359452 -7.579898\nMn Zn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.243525 0.243525 Au\n0.000000 0.756475 0.756475 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"Au"
],
"chemical_system": "Au-Mn-Zn",
"density": 1.0281189391711087,
"density_atomic": 0.004815644993927317,
"volume": 830.6260127239711,
"volume_molar": 125.05366918853264,
"formula_full": "Mn1 Zn1 Au2",
"formula_reduced": "MnZnAu2",
"formula_anonymous": "ABC2",
"energy": -12.632769,
"energy_per_atom": -3.15819225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.632769,
"band_gap": 1.3325000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0001431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.739000Z",
"spacegroup": 71
},
{
"id": "mp-1096744",
"created_at": "2022-09-04T14:44:04.396608Z",
"structure_string": "Hf2 Tc1 Ir1\n1.0\n-4.795146 5.527735 7.833813\n4.795146 -5.527735 7.833813\n4.795146 5.527735 -7.833813\nHf Tc Ir\n2 1 1\ndirect\n0.000000 0.246946 0.246946 Hf\n0.000000 0.753054 0.753054 Hf\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Tc",
"Ir"
],
"chemical_system": "Hf-Ir-Tc",
"density": 1.293907861810803,
"density_atomic": 0.004815903211534087,
"volume": 830.5814764756901,
"volume_molar": 125.04696409963087,
"formula_full": "Hf2 Tc1 Ir1",
"formula_reduced": "Hf2TcIr",
"formula_anonymous": "ABC2",
"energy": -25.96902254,
"energy_per_atom": -6.492255635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.96902254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9882136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.479000Z",
"spacegroup": 71
},
{
"id": "mp-1096589",
"created_at": "2022-09-04T14:43:33.467345Z",
"structure_string": "Hf1 Ti1 Fe2\n1.0\n-4.442476 5.787509 8.074677\n4.442476 -5.787509 8.074677\n4.442476 5.787509 -8.074677\nHf Ti Fe\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.244251 0.244251 Fe\n0.000000 0.755749 0.755749 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"Fe"
],
"chemical_system": "Fe-Hf-Ti",
"density": 0.675965084145417,
"density_atomic": 0.004816793980689918,
"volume": 830.4278771389497,
"volume_molar": 125.02383917896853,
"formula_full": "Hf1 Ti1 Fe2",
"formula_reduced": "HfTiFe2",
"formula_anonymous": "ABC2",
"energy": -21.63956048,
"energy_per_atom": -5.40989012,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.63956048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4493158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.742000Z",
"spacegroup": 71
},
{
"id": "mp-1097159",
"created_at": "2022-09-04T14:45:37.235024Z",
"structure_string": "Zr2 Tc1 Pt1\n1.0\n-4.689642 5.586542 7.923313\n4.689642 -5.586542 7.923313\n4.689642 5.586542 -7.923313\nZr Tc Pt\n2 1 1\ndirect\n0.000000 0.237593 0.237593 Zr\n0.000000 0.762407 0.762407 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Pt"
],
"chemical_system": "Pt-Tc-Zr",
"density": 0.9509972960478,
"density_atomic": 0.004817374713927463,
"volume": 830.3277692797366,
"volume_molar": 125.00876758848445,
"formula_full": "Zr2 Tc1 Pt1",
"formula_reduced": "Zr2TcPt",
"formula_anonymous": "ABC2",
"energy": -22.22500228,
"energy_per_atom": -5.55625057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.22500228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2453946,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.505000Z",
"spacegroup": 71
}
]
}