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=-nsites&page=12111",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12109",
"results": [
{
"id": "mp-991",
"created_at": "2022-09-04T14:44:01.505917Z",
"structure_string": "W1 N1\n1.0\n1.438017 -2.490719 0.000000\n1.438017 2.490719 0.000000\n0.000000 0.000000 2.908033\nW N\n1 1\ndirect\n0.333333 0.666667 0.500000 W\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"W",
"N"
],
"chemical_system": "N-W",
"density": 15.771021657713975,
"density_atomic": 0.09600899320997877,
"volume": 20.831381864674405,
"volume_molar": 6.272475690719027,
"formula_full": "W1 N1",
"formula_reduced": "WN",
"formula_anonymous": "AB",
"energy": -21.79662829,
"energy_per_atom": -10.898314145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.43562829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001134,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.038000Z",
"spacegroup": 187
},
{
"id": "mp-1179684",
"created_at": "2022-09-04T14:44:02.345536Z",
"structure_string": "Rb1 S1\n1.0\n6.433489 5.883228 0.000000\n-6.433489 5.883228 0.000000\n0.000000 2.113365 5.992079\nRb S\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 0.43026736970699225,
"density_atomic": 0.004409204350965699,
"volume": 453.5965767977985,
"volume_molar": 136.58112168652465,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -5.44195915,
"energy_per_atom": -2.720979575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93895915,
"band_gap": 0.3290999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.706000Z",
"spacegroup": 12
},
{
"id": "mp-1059621",
"created_at": "2022-09-04T14:44:05.426652Z",
"structure_string": "K1 Se1\n1.0\n0.000000 3.372713 3.372713\n3.372713 0.000000 3.372713\n3.372713 3.372713 0.000000\nK Se\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"Se"
],
"chemical_system": "K-Se",
"density": 2.554920948508089,
"density_atomic": 0.026065246726245474,
"volume": 76.73052248479854,
"volume_molar": 23.10410034959009,
"formula_full": "K1 Se1",
"formula_reduced": "KSe",
"formula_anonymous": "AB",
"energy": -5.999219930000001,
"energy_per_atom": -2.9996099650000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.52721993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999956,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.177000Z",
"spacegroup": 225
},
{
"id": "mp-1187573",
"created_at": "2022-09-04T14:44:02.096880Z",
"structure_string": "Yb1 Mg1\n1.0\n3.975026 0.000000 0.000000\n0.000000 3.975026 0.000000\n0.000000 0.000000 3.859557\nYb Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.373506992952356,
"density_atomic": 0.032795374088612675,
"volume": 60.984210596165966,
"volume_molar": 18.362775017379747,
"formula_full": "Yb1 Mg1",
"formula_reduced": "YbMg",
"formula_anonymous": "AB",
"energy": -3.25549291,
"energy_per_atom": -1.627746455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.25549291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0142914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.268000Z",
"spacegroup": 123
},
{
"id": "mp-33",
"created_at": "2022-09-04T14:43:53.649143Z",
"structure_string": "Ru2\n1.0\n1.366465 -2.366787 0.000000\n1.366465 2.366787 0.000000\n0.000000 0.000000 4.313923\nRu\n2\ndirect\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ru"
],
"chemical_system": "Ru",
"density": 12.029325778163212,
"density_atomic": 0.07167536668549511,
"volume": 27.903589370889655,
"volume_molar": 8.401967145036867,
"formula_full": "Ru2",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"energy": -18.54877931,
"energy_per_atom": -9.274389655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.54877931,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.051000Z",
"spacegroup": 194
},
{
"id": "mp-11422",
"created_at": "2022-09-04T14:43:56.670468Z",
"structure_string": "Gd1 Hg1\n1.0\n3.760424 0.000000 0.000000\n0.000000 3.760424 0.000000\n0.000000 0.000000 3.760424\nGd Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Hg"
],
"chemical_system": "Gd-Hg",
"density": 11.174485472244875,
"density_atomic": 0.03761140423523876,
"volume": 53.1753610551495,
"volume_molar": 16.01147546189662,
"formula_full": "Gd1 Hg1",
"formula_reduced": "GdHg",
"formula_anonymous": "AB",
"energy": -15.41520923,
"energy_per_atom": -7.707604615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.41520923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4352251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.311000Z",
"spacegroup": 221
},
{
"id": "mp-938",
"created_at": "2022-09-04T14:44:02.165415Z",
"structure_string": "Ge1 Te1\n1.0\n3.829808 -2.115333 0.000000\n3.829808 2.115333 0.000000\n2.661437 0.000000 3.472580\nGe Te\n1 1\ndirect\n0.995060 0.995060 0.995060 Ge\n0.525940 0.525940 0.525940 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"Te"
],
"chemical_system": "Ge-Te",
"density": 5.9096523360046005,
"density_atomic": 0.035546102898902546,
"volume": 56.264958374993846,
"volume_molar": 16.94177495948769,
"formula_full": "Ge1 Te1",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy": -8.37277254,
"energy_per_atom": -4.18638627,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.95077254,
"band_gap": 0.8086000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.189000Z",
"spacegroup": 160
},
{
"id": "mp-1002230",
"created_at": "2022-09-04T14:44:24.619184Z",
"structure_string": "Pu1 Bi1\n1.0\n3.870075 0.000000 0.000000\n0.000000 3.870075 0.000000\n0.000000 0.000000 3.870075\nPu Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pu",
"Bi"
],
"chemical_system": "Bi-Pu",
"density": 12.976882249247337,
"density_atomic": 0.03450419115613804,
"volume": 57.96397286780667,
"volume_molar": 17.45336018093763,
"formula_full": "Pu1 Bi1",
"formula_reduced": "PuBi",
"formula_anonymous": "AB",
"energy": -18.85157409,
"energy_per_atom": -9.425787045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.85157409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7960759,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.929000Z",
"spacegroup": 221
},
{
"id": "mp-7131",
"created_at": "2022-09-04T14:44:31.437539Z",
"structure_string": "Pr1 Te1\n1.0\n3.907568 0.000000 0.000000\n0.000000 3.907568 0.000000\n0.000000 0.000000 3.907568\nPr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Te"
],
"chemical_system": "Pr-Te",
"density": 7.472847642051236,
"density_atomic": 0.03352049030559729,
"volume": 59.664998386555155,
"volume_molar": 17.9655509364504,
"formula_full": "Pr1 Te1",
"formula_reduced": "PrTe",
"formula_anonymous": "AB",
"energy": -11.03729795,
"energy_per_atom": -5.518648975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.61529795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5217651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.410000Z",
"spacegroup": 221
},
{
"id": "mp-2104",
"created_at": "2022-09-04T14:44:46.882557Z",
"structure_string": "U1 As1\n1.0\n0.000000 2.895008 2.895008\n2.895008 0.000000 2.895008\n2.895008 2.895008 0.000000\nU As\n1 1\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"As"
],
"chemical_system": "As-U",
"density": 10.708914739489853,
"density_atomic": 0.04121456262866176,
"volume": 48.52653704031167,
"volume_molar": 14.611681832605534,
"formula_full": "U1 As1",
"formula_reduced": "UAs",
"formula_anonymous": "AB",
"energy": -17.39347379,
"energy_per_atom": -8.696736895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.39347379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5379867,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.281000Z",
"spacegroup": 225
},
{
"id": "mp-1009650",
"created_at": "2022-09-04T14:44:31.699818Z",
"structure_string": "Rb1 Sb1\n1.0\n0.000000 4.258000 4.258000\n4.258000 0.000000 4.258000\n4.258000 4.258000 0.000000\nRb Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 2.2286924759656896,
"density_atomic": 0.012953377689341378,
"volume": 154.399883024,
"volume_molar": 46.49089144490312,
"formula_full": "Rb1 Sb1",
"formula_reduced": "RbSb",
"formula_anonymous": "AB",
"energy": -4.30309225,
"energy_per_atom": -2.151546125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.11109225,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.138000Z",
"spacegroup": 216
},
{
"id": "mp-1476",
"created_at": "2022-09-04T14:44:24.073282Z",
"structure_string": "Sc1 S1\n1.0\n0.000000 2.610837 2.610837\n2.610837 0.000000 2.610837\n2.610837 2.610837 0.000000\nSc S\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"S"
],
"chemical_system": "S-Sc",
"density": 3.593258671299138,
"density_atomic": 0.05619021886713571,
"volume": 35.593383338283296,
"volume_molar": 10.717418229389036,
"formula_full": "Sc1 S1",
"formula_reduced": "ScS",
"formula_anonymous": "AB",
"energy": -14.70789399,
"energy_per_atom": -7.353946995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.20489399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.697000Z",
"spacegroup": 225
}
]
}