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=energy_uncorrected&page=11557",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=11555",
"results": [
{
"id": "mp-867860",
"created_at": "2022-09-04T14:42:49.121290Z",
"structure_string": "Sm1 Zn1 Au2\n1.0\n0.000000 3.473781 3.473781\n3.473781 0.000000 3.473781\n3.473781 3.473781 0.000000\nSm Zn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Au"
],
"chemical_system": "Au-Sm-Zn",
"density": 12.07617821154509,
"density_atomic": 0.0477114581204907,
"volume": 83.83730360741407,
"volume_molar": 12.622001081567584,
"formula_full": "Sm1 Zn1 Au2",
"formula_reduced": "SmZnAu2",
"formula_anonymous": "ABC2",
"energy": -14.95269254,
"energy_per_atom": -3.738173135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.95269254,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.385000Z",
"spacegroup": 225
},
{
"id": "mp-974060",
"created_at": "2022-09-04T14:45:04.484358Z",
"structure_string": "Li1 Dy3\n1.0\n4.879930 0.000000 0.000000\n0.000000 4.879930 0.000000\n0.000000 0.000000 4.879930\nLi Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Dy"
],
"chemical_system": "Dy-Li",
"density": 7.065172935225709,
"density_atomic": 0.03442066165578912,
"volume": 116.20927104773565,
"volume_molar": 17.49571469666142,
"formula_full": "Li1 Dy3",
"formula_reduced": "LiDy3",
"formula_anonymous": "AB3",
"energy": -14.95039173,
"energy_per_atom": -3.7375979325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.95039173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.219000Z",
"spacegroup": 221
},
{
"id": "mp-753890",
"created_at": "2022-09-04T14:39:27.213098Z",
"structure_string": "Ni2 H1\n1.0\n1.275092 -2.208524 0.000000\n1.275092 2.208524 0.000000\n0.000000 0.000000 4.187901\nNi H\n2 1\ndirect\n0.333333 0.666667 0.259578 Ni\n0.666667 0.333333 0.740422 Ni\n0.000000 0.000000 0.000000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"H"
],
"chemical_system": "H-Ni",
"density": 8.335112372080578,
"density_atomic": 0.12718948486841508,
"volume": 23.586855494411935,
"volume_molar": 4.734778795770936,
"formula_full": "Ni2 H1",
"formula_reduced": "Ni2H",
"formula_anonymous": "AB2",
"energy": -15.128588060000002,
"energy_per_atom": -5.042862686666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.94958806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0062595,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.648000Z",
"spacegroup": 164
},
{
"id": "mp-1225685",
"created_at": "2022-09-04T14:40:26.421221Z",
"structure_string": "Cu1 Ni1 Pd1\n1.0\n1.329594 -2.302925 0.000000\n1.329594 2.302925 0.000000\n0.000000 0.000000 6.352823\nCu Ni Pd\n1 1 1\ndirect\n0.000000 0.000000 0.012732 Cu\n0.666667 0.333333 0.322274 Ni\n0.333333 0.666667 0.664993 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"Pd"
],
"chemical_system": "Cu-Ni-Pd",
"density": 9.759837010367914,
"density_atomic": 0.0771126561489332,
"volume": 38.90411963252679,
"volume_molar": 7.809536152365194,
"formula_full": "Cu1 Ni1 Pd1",
"formula_reduced": "CuNiPd",
"formula_anonymous": "ABC",
"energy": -14.94954486,
"energy_per_atom": -4.98318162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.94954486,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5669049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.194000Z",
"spacegroup": 156
},
{
"id": "mp-1097454",
"created_at": "2022-09-04T14:46:34.239467Z",
"structure_string": "Sc1 Cd1 Pt2\n1.0\n-4.952810 5.651667 7.996022\n4.952810 -5.651667 7.996022\n4.952810 5.651667 -7.996022\nSc Cd Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Cd\n0.000000 0.228676 0.228676 Pt\n0.000000 0.771324 0.771324 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt-Sc",
"density": 1.01554391634599,
"density_atomic": 0.00446784179804826,
"volume": 895.286847834981,
"volume_molar": 134.78858545597393,
"formula_full": "Sc1 Cd1 Pt2",
"formula_reduced": "ScCdPt2",
"formula_anonymous": "ABC2",
"energy": -14.94934729,
"energy_per_atom": -3.7373368225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.94934729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.376000Z",
"spacegroup": 71
},
{
"id": "mp-1226954",
"created_at": "2022-09-04T14:43:59.701528Z",
"structure_string": "Ce2 Mg1 Zn1\n1.0\n3.729025 0.000000 0.000000\n0.000000 3.729025 0.000000\n0.000000 0.000000 7.377266\nCe Mg Zn\n2 1 1\ndirect\n0.000000 0.000000 0.776845 Ce\n0.000000 0.000000 0.223155 Ce\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Zn"
],
"chemical_system": "Ce-Mg-Zn",
"density": 5.988270370366415,
"density_atomic": 0.03899186053288449,
"volume": 102.58551260016249,
"volume_molar": 15.444609920373301,
"formula_full": "Ce2 Mg1 Zn1",
"formula_reduced": "Ce2MgZn",
"formula_anonymous": "ABC2",
"energy": -14.94711019,
"energy_per_atom": -3.7367775475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.94711019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1625847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.697000Z",
"spacegroup": 123
},
{
"id": "mp-1183156",
"created_at": "2022-09-04T14:43:52.264673Z",
"structure_string": "Ag3 Rh1\n1.0\n0.000000 3.247903 3.247903\n3.247903 0.000000 3.247903\n3.247903 3.247903 0.000000\nAg Rh\n3 1\ndirect\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Rh"
],
"chemical_system": "Ag-Rh",
"density": 10.335685136954602,
"density_atomic": 0.05837418693464968,
"volume": 68.52343835603276,
"volume_molar": 10.316444778480305,
"formula_full": "Ag3 Rh1",
"formula_reduced": "Ag3Rh",
"formula_anonymous": "AB3",
"energy": -14.94627643,
"energy_per_atom": -3.7365691075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.94627643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.002000Z",
"spacegroup": 225
},
{
"id": "mp-1229089",
"created_at": "2022-09-04T14:46:16.376365Z",
"structure_string": "Ag1 Bi1 Se1 S1\n1.0\n4.024249 0.000000 0.000000\n0.000000 4.024249 0.000000\n0.000000 0.000000 5.922352\nAg Bi Se S\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"Se",
"S"
],
"chemical_system": "Ag-Bi-S-Se",
"density": 7.407995033474446,
"density_atomic": 0.04170576437189018,
"volume": 95.91000333507886,
"volume_molar": 14.439588509397858,
"formula_full": "Ag1 Bi1 Se1 S1",
"formula_reduced": "AgBiSeS",
"formula_anonymous": "ABCD",
"energy": -15.92037987,
"energy_per_atom": -3.9800949675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.94537987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.246000Z",
"spacegroup": 123
},
{
"id": "mp-1094273",
"created_at": "2022-09-04T14:44:19.869875Z",
"structure_string": "Mg5 Ti1\n1.0\n5.491610 -2.691093 0.000000\n5.491610 2.691093 0.000000\n4.172875 0.000000 4.470669\nMg Ti\n5 1\ndirect\n0.000000 0.659873 0.340127 Mg\n0.165138 0.165138 0.165138 Mg\n0.340127 0.000000 0.659873 Mg\n0.659873 0.340127 0.000000 Mg\n0.834862 0.834862 0.834862 Mg\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.1286834668825607,
"density_atomic": 0.04540674226226137,
"volume": 132.13896661744755,
"volume_molar": 13.262657614186837,
"formula_full": "Mg5 Ti1",
"formula_reduced": "Mg5Ti",
"formula_anonymous": "AB5",
"energy": -14.94505527,
"energy_per_atom": -2.490842545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.94505527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8853982,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.316000Z",
"spacegroup": 155
},
{
"id": "mp-1096491",
"created_at": "2022-09-04T14:39:10.349397Z",
"structure_string": "Y1 Pd2 Au1\n1.0\n-5.033101 5.936552 8.385171\n5.033101 -5.936552 8.385171\n5.033101 5.936552 -8.385171\nY Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.237633 0.237633 Pd\n0.000000 0.762367 0.762367 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Pd",
"Au"
],
"chemical_system": "Au-Pd-Y",
"density": 0.8263374656901126,
"density_atomic": 0.00399133476190192,
"volume": 1002.1710126098145,
"volume_molar": 150.88037258820094,
"formula_full": "Y1 Pd2 Au1",
"formula_reduced": "YPd2Au",
"formula_anonymous": "ABC2",
"energy": -14.9424517,
"energy_per_atom": -3.735612925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.9424517,
"band_gap": 0.4160000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.245000Z",
"spacegroup": 71
},
{
"id": "mp-8606",
"created_at": "2022-09-04T14:47:44.728405Z",
"structure_string": "Ba1 Sb1 Pt1\n1.0\n2.305029 -3.992428 0.000000\n2.305029 3.992428 0.000000\n0.000000 0.000000 4.968951\nBa Sb Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pt"
],
"chemical_system": "Ba-Pt-Sb",
"density": 8.246322231555787,
"density_atomic": 0.032802961823569454,
"volume": 91.45515627934707,
"volume_molar": 18.35852747806753,
"formula_full": "Ba1 Sb1 Pt1",
"formula_reduced": "BaSbPt",
"formula_anonymous": "ABC",
"energy": -14.9402158,
"energy_per_atom": -4.980071933333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.9402158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043121,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.354000Z",
"spacegroup": 187
},
{
"id": "mp-1183144",
"created_at": "2022-09-04T14:42:52.372727Z",
"structure_string": "Al4\n1.0\n1.428573 -2.474362 0.000000\n1.428573 2.474362 0.000000\n0.000000 0.000000 9.296985\nAl\n4\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.666667 0.333333 0.750000 Al\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.726704024337018,
"density_atomic": 0.060858632617380067,
"volume": 65.7260905802487,
"volume_molar": 9.895294226969193,
"formula_full": "Al4",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -14.93651943,
"energy_per_atom": -3.7341298575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.93651943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.115000Z",
"spacegroup": 194
}
]
}