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=formula_reduced&page=12139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=12137",
"results": [
{
"id": "mp-1246458",
"created_at": "2022-09-04T14:42:10.976064Z",
"structure_string": "Zr1 Ga2 N2\n1.0\n3.240828 0.000033 -0.000134\n-1.620385 2.806590 0.000000\n0.000102 0.000057 8.550325\nZr Ga N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666634 0.333318 0.321599 Ga\n0.333366 0.666682 0.678401 Ga\n0.666650 0.333325 0.856158 N\n0.333350 0.666675 0.143842 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"N"
],
"chemical_system": "Ga-N-Zr",
"density": 5.523285923783183,
"density_atomic": 0.06429095431373562,
"volume": 77.77143850751273,
"volume_molar": 9.367010995998518,
"formula_full": "Zr1 Ga2 N2",
"formula_reduced": "Zr(GaN)2",
"formula_anonymous": "AB2C2",
"energy": -34.57303779,
"energy_per_atom": -6.914607558,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.85103779,
"band_gap": 0.6955000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.423000Z",
"spacegroup": 164
},
{
"id": "mp-1078832",
"created_at": "2022-09-04T14:42:50.014662Z",
"structure_string": "Zr3 Ga3 Ni3\n1.0\n3.429031 -5.939256 0.000000\n3.429031 5.939256 0.000000\n0.000000 0.000000 3.504141\nZr Ga Ni\n3 3 3\ndirect\n0.405679 0.000000 0.500000 Zr\n0.000000 0.405679 0.500000 Zr\n0.594321 0.594321 0.500000 Zr\n0.742367 0.000000 0.000000 Ga\n0.000000 0.742367 0.000000 Ga\n0.257633 0.257633 0.000000 Ga\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Zr",
"density": 7.66597772506586,
"density_atomic": 0.06305615488679454,
"volume": 142.72992091188885,
"volume_molar": 9.550440826611803,
"formula_full": "Zr3 Ga3 Ni3",
"formula_reduced": "ZrGaNi",
"formula_anonymous": "ABC",
"energy": -57.88983139,
"energy_per_atom": -6.432203487777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.88983139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0114392,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.594000Z",
"spacegroup": 189
},
{
"id": "mp-22580",
"created_at": "2022-09-04T14:45:09.320432Z",
"structure_string": "Zr1 Ga1 Ni2\n1.0\n0.000000 3.060676 3.060676\n3.060676 0.000000 3.060676\n3.060676 3.060676 0.000000\nZr Ga Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Zr",
"density": 8.059961670929592,
"density_atomic": 0.06975541413844323,
"volume": 57.34321915229719,
"volume_molar": 8.633223434166538,
"formula_full": "Zr1 Ga1 Ni2",
"formula_reduced": "ZrGaNi2",
"formula_anonymous": "ABC2",
"energy": -25.25551084,
"energy_per_atom": -6.31387771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.25551084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014644,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.606000Z",
"spacegroup": 225
},
{
"id": "mp-972183",
"created_at": "2022-09-04T14:39:57.329218Z",
"structure_string": "Zr1 Ga1 Pd2\n1.0\n0.000000 3.236039 3.236039\n3.236039 0.000000 3.236039\n3.236039 3.236039 0.000000\nZr Ga Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Zr",
"density": 9.158029828706503,
"density_atomic": 0.05901857981343196,
"volume": 67.77526691839584,
"volume_molar": 10.20380493572878,
"formula_full": "Zr1 Ga1 Pd2",
"formula_reduced": "ZrGaPd2",
"formula_anonymous": "ABC2",
"energy": -24.82454224,
"energy_per_atom": -6.20613556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.82454224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.846000Z",
"spacegroup": 225
},
{
"id": "mp-601253",
"created_at": "2022-09-04T14:44:14.430228Z",
"structure_string": "Zr6 Ga6 Pt6\n1.0\n3.604860 -6.243800 0.000000\n3.604860 6.243800 0.000000\n0.000000 0.000000 7.149474\nZr Ga Pt\n6 6 6\ndirect\n0.386757 0.408483 0.750000 Zr\n0.021726 0.613243 0.750000 Zr\n0.591517 0.978274 0.750000 Zr\n0.613243 0.021726 0.250000 Zr\n0.978274 0.591517 0.250000 Zr\n0.408483 0.386757 0.250000 Zr\n0.267316 0.000000 0.000000 Ga\n0.732684 0.732684 0.000000 Ga\n0.000000 0.267316 0.000000 Ga\n0.732684 0.732684 0.500000 Ga\n0.267316 0.000000 0.500000 Ga\n0.000000 0.267316 0.500000 Ga\n0.666667 0.333333 0.969425 Pt\n0.000000 0.000000 0.750000 Pt\n0.666667 0.333333 0.530575 Pt\n0.333333 0.666667 0.469425 Pt\n0.333333 0.666667 0.030575 Pt\n0.000000 0.000000 0.250000 Pt\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Zr",
"density": 11.02165185908719,
"density_atomic": 0.05592822444625004,
"volume": 321.84107717023886,
"volume_molar": 10.767623717051118,
"formula_full": "Zr6 Ga6 Pt6",
"formula_reduced": "ZrGaPt",
"formula_anonymous": "ABC",
"energy": -123.43741609,
"energy_per_atom": -6.857634227222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.43741609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.084000Z",
"spacegroup": 190
},
{
"id": "mp-1080495",
"created_at": "2022-09-04T14:46:13.913800Z",
"structure_string": "Zr3 Ga3 Pt3\n1.0\n3.599522 -6.234556 0.000000\n3.599522 6.234556 0.000000\n0.000000 0.000000 3.613654\nZr Ga Pt\n3 3 3\ndirect\n0.397293 0.397293 0.500000 Zr\n0.602707 0.000000 0.500000 Zr\n0.000000 0.602707 0.500000 Zr\n0.736282 0.736282 0.000000 Ga\n0.263718 0.000000 0.000000 Ga\n0.000000 0.263718 0.000000 Ga\n0.666667 0.333333 0.000000 Pt\n0.333333 0.666667 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Zr",
"density": 10.935313564613777,
"density_atomic": 0.05549010976313799,
"volume": 162.1910650099072,
"volume_molar": 10.852638038933023,
"formula_full": "Zr3 Ga3 Pt3",
"formula_reduced": "ZrGaPt",
"formula_anonymous": "ABC",
"energy": -61.63824181,
"energy_per_atom": -6.848693534444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.63824181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.472000Z",
"spacegroup": 189
},
{
"id": "mp-1078756",
"created_at": "2022-09-04T14:40:31.898318Z",
"structure_string": "Zr3 Ga3 Rh3\n1.0\n3.662855 -6.344250 0.000000\n3.662855 6.344250 0.000000\n0.000000 0.000000 3.341135\nZr Ga Rh\n3 3 3\ndirect\n0.000000 0.392967 0.500000 Zr\n0.607033 0.607033 0.500000 Zr\n0.392967 0.000000 0.500000 Zr\n0.000000 0.726889 0.000000 Ga\n0.273111 0.273111 0.000000 Ga\n0.726889 0.000000 0.000000 Ga\n0.333333 0.666667 0.000000 Rh\n0.666667 0.333333 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Zr",
"density": 8.464621263316422,
"density_atomic": 0.057958678517804195,
"volume": 155.2830435434326,
"volume_molar": 10.390403842886228,
"formula_full": "Zr3 Ga3 Rh3",
"formula_reduced": "ZrGaRh",
"formula_anonymous": "ABC",
"energy": -64.23227965,
"energy_per_atom": -7.1369199611111105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.23227965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.806000Z",
"spacegroup": 189
},
{
"id": "mp-1188021",
"created_at": "2022-09-04T14:42:38.240011Z",
"structure_string": "Zr1 Ga1 Rh2\n1.0\n0.000000 3.178910 3.178910\n3.178910 0.000000 3.178910\n3.178910 3.178910 0.000000\nZr Ga Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Zr",
"density": 9.479032231796092,
"density_atomic": 0.062258019062357235,
"volume": 64.24875157035795,
"volume_molar": 9.672875640274166,
"formula_full": "Zr1 Ga1 Rh2",
"formula_reduced": "ZrGaRh2",
"formula_anonymous": "ABC2",
"energy": -29.63226145,
"energy_per_atom": -7.4080653625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.63226145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.761000Z",
"spacegroup": 225
},
{
"id": "mp-1097070",
"created_at": "2022-09-04T14:43:35.390990Z",
"structure_string": "Zr1 Ga1 Rh2\n1.0\n-4.703209 5.530166 7.819981\n4.703209 -5.530166 7.819981\n4.703209 5.530166 -7.819981\nZr Ga Rh\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.264636 0.264636 Rh\n0.000000 0.735364 0.735364 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Zr",
"density": 0.748566793754354,
"density_atomic": 0.004916565802854708,
"volume": 813.5760122802542,
"volume_molar": 122.48673162277949,
"formula_full": "Zr1 Ga1 Rh2",
"formula_reduced": "ZrGaRh2",
"formula_anonymous": "ABC2",
"energy": -18.82763248,
"energy_per_atom": -4.70690812,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82763248,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.985000Z",
"spacegroup": 71
},
{
"id": "mp-1188059",
"created_at": "2022-09-04T14:46:27.531025Z",
"structure_string": "Zr1 Ga1 Ru2\n1.0\n0.000000 3.155143 3.155143\n3.155143 0.000000 3.155143\n3.155143 3.155143 0.000000\nZr Ga Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru-Zr",
"density": 9.597821286908896,
"density_atomic": 0.06367557174899015,
"volume": 62.81843869055541,
"volume_molar": 9.457537002948868,
"formula_full": "Zr1 Ga1 Ru2",
"formula_reduced": "ZrGaRu2",
"formula_anonymous": "ABC2",
"energy": -32.2788088,
"energy_per_atom": -8.0697022,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.2788088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.699000Z",
"spacegroup": 225
},
{
"id": "mp-1093686",
"created_at": "2022-09-04T14:43:23.371525Z",
"structure_string": "Zr1 Ga1 Ru2\n1.0\n-4.730389 5.471871 7.743730\n4.730389 -5.471871 7.743730\n4.730389 5.471871 -7.743730\nZr Ga Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.261970 0.261970 Ru\n0.000000 0.738030 0.738030 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru-Zr",
"density": 0.7519983667844804,
"density_atomic": 0.004989041213407532,
"volume": 801.7572573364225,
"volume_molar": 120.70737647578699,
"formula_full": "Zr1 Ga1 Ru2",
"formula_reduced": "ZrGaRu2",
"formula_anonymous": "ABC2",
"energy": -19.42413919,
"energy_per_atom": -4.8560347975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.42413919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6665723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.972000Z",
"spacegroup": 71
},
{
"id": "mp-1025513",
"created_at": "2022-09-04T14:46:31.320471Z",
"structure_string": "Zr4 Ge4\n1.0\n3.934538 0.000000 0.000000\n0.000000 5.437467 0.000000\n0.000000 0.000000 7.120695\nZr Ge\n4 4\ndirect\n0.250000 0.630714 0.176207 Zr\n0.750000 0.369286 0.823793 Zr\n0.750000 0.130714 0.323793 Zr\n0.250000 0.869286 0.676207 Zr\n0.250000 0.152441 0.048692 Ge\n0.750000 0.847559 0.951308 Ge\n0.750000 0.652441 0.451308 Ge\n0.250000 0.347559 0.548692 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ge"
],
"chemical_system": "Ge-Zr",
"density": 7.144632229558943,
"density_atomic": 0.052514256920013484,
"volume": 152.33958298572352,
"volume_molar": 11.4676301507466,
"formula_full": "Zr4 Ge4",
"formula_reduced": "ZrGe",
"formula_anonymous": "AB",
"energy": -59.12369985,
"energy_per_atom": -7.39046248125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.12369985,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.628000Z",
"spacegroup": 62
}
]
}