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=139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=137",
"results": [
{
"id": "mp-1093740",
"created_at": "2022-09-04T14:42:46.978296Z",
"structure_string": "Sc1 V1 Tc2\n1.0\n-4.632045 5.706159 7.728104\n4.632045 -5.706159 7.728104\n4.632045 5.706159 -7.728104\nSc V Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 V\n0.000000 0.267525 0.267525 Tc\n0.000000 0.732475 0.732475 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"V",
"Tc"
],
"chemical_system": "Sc-Tc-V",
"density": 0.5932390816018063,
"density_atomic": 0.004895650469109067,
"volume": 817.0517942895417,
"volume_molar": 123.01002283555461,
"formula_full": "Sc1 V1 Tc2",
"formula_reduced": "ScVTc2",
"formula_anonymous": "ABC2",
"energy": -22.78325217,
"energy_per_atom": -5.6958130425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.78325217,
"band_gap": 0.0308999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0002256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.897000Z",
"spacegroup": 71
},
{
"id": "mp-1097141",
"created_at": "2022-09-04T14:47:34.618220Z",
"structure_string": "Fe1 Sn1 Rh2\n1.0\n-4.764817 5.513684 7.771700\n4.764817 -5.513684 7.771700\n4.764817 5.513684 -7.771700\nFe Sn Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Sn\n0.000000 0.237425 0.237425 Rh\n0.000000 0.762575 0.762575 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Sn",
"Rh"
],
"chemical_system": "Fe-Rh-Sn",
"density": 0.7733688403752439,
"density_atomic": 0.004897741667496218,
"volume": 816.7029360788738,
"volume_molar": 122.95750100430651,
"formula_full": "Fe1 Sn1 Rh2",
"formula_reduced": "FeSnRh2",
"formula_anonymous": "ABC2",
"energy": -17.22601368,
"energy_per_atom": -4.30650342,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.22601368,
"band_gap": 0.2374,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9995855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.939000Z",
"spacegroup": 71
},
{
"id": "mp-1093801",
"created_at": "2022-09-04T14:41:58.863636Z",
"structure_string": "Sc2 Os1 Rh1\n1.0\n-4.685655 5.550381 7.850488\n4.685655 -5.550381 7.850488\n4.685655 5.550381 -7.850488\nSc Os Rh\n2 1 1\ndirect\n0.000000 0.247396 0.247396 Sc\n0.000000 0.752604 0.752604 Sc\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Rh"
],
"chemical_system": "Os-Rh-Sc",
"density": 0.7788463341400644,
"density_atomic": 0.004897903692153021,
"volume": 816.6759192118127,
"volume_molar": 122.95343351989811,
"formula_full": "Sc2 Os1 Rh1",
"formula_reduced": "Sc2OsRh",
"formula_anonymous": "ABC2",
"energy": -21.49326846,
"energy_per_atom": -5.373317115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.49326846,
"band_gap": 0.4663999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.289000Z",
"spacegroup": 71
},
{
"id": "mp-1093854",
"created_at": "2022-09-04T14:39:34.855302Z",
"structure_string": "Be1 Cd1 Pt2\n1.0\n-4.720439 5.543947 7.801414\n4.720439 -5.543947 7.801414\n4.720439 5.543947 -7.801414\nBe Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Cd\n0.000000 0.215497 0.215497 Pt\n0.000000 0.784503 0.784503 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Pt"
],
"chemical_system": "Be-Cd-Pt",
"density": 1.040249154255899,
"density_atomic": 0.0048980725665164915,
"volume": 816.6477620899764,
"volume_molar": 122.94919436612074,
"formula_full": "Be1 Cd1 Pt2",
"formula_reduced": "BeCdPt2",
"formula_anonymous": "ABC2",
"energy": -9.81895532,
"energy_per_atom": -2.45473883,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.81895532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6666643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.594000Z",
"spacegroup": 71
},
{
"id": "mp-1095927",
"created_at": "2022-09-04T14:41:05.613009Z",
"structure_string": "Ta2 Ti1 W1\n1.0\n-4.725457 5.494960 7.861796\n4.725457 -5.494960 7.861796\n4.725457 5.494960 -7.861796\nTa Ti W\n2 1 1\ndirect\n0.000000 0.251508 0.251508 Ta\n0.000000 0.748492 0.748492 Ta\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"W"
],
"chemical_system": "Ta-Ti-W",
"density": 1.2071323709504034,
"density_atomic": 0.004898576318161361,
"volume": 816.563781025538,
"volume_molar": 122.93655072134018,
"formula_full": "Ta2 Ti1 W1",
"formula_reduced": "Ta2TiW",
"formula_anonymous": "ABC2",
"energy": -24.99186065,
"energy_per_atom": -6.2479651625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.99186065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0018881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.096000Z",
"spacegroup": 71
},
{
"id": "mp-1095879",
"created_at": "2022-09-04T14:41:23.645996Z",
"structure_string": "Sc1 Fe1 Rh2\n1.0\n-4.486888 5.639286 8.066594\n4.486888 -5.639286 8.066594\n4.486888 5.639286 -8.066594\nSc Fe Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Fe\n0.000000 0.242438 0.242438 Rh\n0.000000 0.757562 0.757562 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Fe",
"Rh"
],
"chemical_system": "Fe-Rh-Sc",
"density": 0.623617912062887,
"density_atomic": 0.004899372400375408,
"volume": 816.4311003779801,
"volume_molar": 122.91657518294714,
"formula_full": "Sc1 Fe1 Rh2",
"formula_reduced": "ScFeRh2",
"formula_anonymous": "ABC2",
"energy": -20.21566874,
"energy_per_atom": -5.053917185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.21566874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.5491911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.245000Z",
"spacegroup": 71
},
{
"id": "mp-1210730",
"created_at": "2022-09-04T14:47:07.661563Z",
"structure_string": "Na2 Mg1 As2\n1.0\n8.494939 0.000000 0.000000\n0.000000 8.494939 0.000000\n0.000000 0.000000 14.136120\nNa Mg As\n2 1 2\ndirect\n0.500000 0.500000 0.625174 Na\n0.500000 0.500000 0.374826 Na\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.177201 As\n0.500000 0.500000 0.822799 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Mg",
"As"
],
"chemical_system": "As-Mg-Na",
"density": 0.3583217058109017,
"density_atomic": 0.004901389903467584,
"volume": 1020.1188027221938,
"volume_molar": 122.86598043831444,
"formula_full": "Na2 Mg1 As2",
"formula_reduced": "Na2MgAs2",
"formula_anonymous": "AB2C2",
"energy": -9.20714337,
"energy_per_atom": -1.841428674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.20714337,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6611622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.435000Z",
"spacegroup": 123
},
{
"id": "mp-1095941",
"created_at": "2022-09-04T14:41:37.062907Z",
"structure_string": "Zr2 Tc1 Ru1\n1.0\n-4.603117 5.623677 7.880384\n4.603117 -5.623677 7.880384\n4.603117 5.623677 -7.880384\nZr Tc Ru\n2 1 1\ndirect\n0.000000 0.251449 0.251449 Zr\n0.000000 0.748551 0.748551 Zr\n0.000000 0.000000 0.000000 Tc\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Tc",
"Ru"
],
"chemical_system": "Ru-Tc-Zr",
"density": 0.7763979426445704,
"density_atomic": 0.004902078222255086,
"volume": 815.9804512788647,
"volume_molar": 122.84872837524115,
"formula_full": "Zr2 Tc1 Ru1",
"formula_reduced": "Zr2TcRu",
"formula_anonymous": "ABC2",
"energy": -23.37154453,
"energy_per_atom": -5.8428861325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.37154453,
"band_gap": 0.1080999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.0000592,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.331000Z",
"spacegroup": 71
},
{
"id": "mp-1097235",
"created_at": "2022-09-04T14:45:23.557485Z",
"structure_string": "Mg1 Fe1 Pt2\n1.0\n-4.799363 5.478363 7.744696\n4.799363 -5.478363 7.744696\n4.799363 5.478363 -7.744696\nMg Fe Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Fe\n0.000000 0.265175 0.265175 Pt\n0.000000 0.734825 0.734825 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"Pt"
],
"chemical_system": "Fe-Mg-Pt",
"density": 0.9588306907995254,
"density_atomic": 0.004910901464114258,
"volume": 814.5144082465213,
"volume_molar": 122.6280104377164,
"formula_full": "Mg1 Fe1 Pt2",
"formula_reduced": "MgFePt2",
"formula_anonymous": "ABC2",
"energy": -14.54839007,
"energy_per_atom": -3.6370975175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.54839007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.000717,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.441000Z",
"spacegroup": 71
},
{
"id": "mp-1097305",
"created_at": "2022-09-04T14:45:25.394433Z",
"structure_string": "Zr2 Mn1 Os1\n1.0\n-4.834050 5.406869 7.789081\n4.834050 -5.406869 7.789081\n4.834050 5.406869 -7.789081\nZr Mn Os\n2 1 1\ndirect\n0.000000 0.258643 0.258643 Zr\n0.000000 0.741357 0.741357 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Mn",
"Os"
],
"chemical_system": "Mn-Os-Zr",
"density": 0.8719666861443328,
"density_atomic": 0.00491198231236303,
"volume": 814.3351798992333,
"volume_molar": 122.60102697932763,
"formula_full": "Zr2 Mn1 Os1",
"formula_reduced": "Zr2MnOs",
"formula_anonymous": "ABC2",
"energy": -23.72413903,
"energy_per_atom": -5.9310347575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.72413903,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0010434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.555000Z",
"spacegroup": 71
},
{
"id": "mp-1096347",
"created_at": "2022-09-04T14:40:59.172940Z",
"structure_string": "Ta2 Mn1 Re1\n1.0\n-4.741737 5.503187 7.799629\n4.741737 -5.503187 7.799629\n4.741737 5.503187 -7.799629\nTa Mn Re\n2 1 1\ndirect\n0.000000 0.254335 0.254335 Ta\n0.000000 0.745665 0.745665 Ta\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"Re"
],
"chemical_system": "Mn-Re-Ta",
"density": 1.2300142075455465,
"density_atomic": 0.004913311759856082,
"volume": 814.1148364900756,
"volume_molar": 122.5678535036905,
"formula_full": "Ta2 Mn1 Re1",
"formula_reduced": "Ta2MnRe",
"formula_anonymous": "ABC2",
"energy": -27.39748681,
"energy_per_atom": -6.8493717025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.39748681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7570808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.528000Z",
"spacegroup": 71
},
{
"id": "mp-1093627",
"created_at": "2022-09-04T14:44:55.320991Z",
"structure_string": "Ta2 Nb1 Re1\n1.0\n-4.698104 5.531835 7.830727\n4.698104 -5.531835 7.830727\n4.698104 5.531835 -7.830727\nTa Nb Re\n2 1 1\ndirect\n0.000000 0.252696 0.252696 Ta\n0.000000 0.747304 0.747304 Ta\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Re"
],
"chemical_system": "Nb-Re-Ta",
"density": 1.3075532981891202,
"density_atomic": 0.004913670975498612,
"volume": 814.0553203390064,
"volume_molar": 122.55889313770967,
"formula_full": "Ta2 Nb1 Re1",
"formula_reduced": "Ta2NbRe",
"formula_anonymous": "ABC2",
"energy": -26.9958446,
"energy_per_atom": -6.74896115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.9958446,
"band_gap": 0.2317999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003752,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.315000Z",
"spacegroup": 71
}
]
}