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_anonymous&page=40",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=38",
"results": [
{
"id": "mp-1191484",
"created_at": "2022-09-04T14:39:29.957704Z",
"structure_string": "Mn22\n1.0\n-5.575475 -5.575475 0.000000\n-5.575475 0.000000 -5.575475\n0.000000 -5.575475 -5.575475\nMn\n22\ndirect\n0.899909 0.366697 0.366697 Mn\n0.366697 0.899909 0.366697 Mn\n0.366697 0.366697 0.899909 Mn\n0.366697 0.366697 0.366697 Mn\n0.518035 0.160655 0.160655 Mn\n0.160655 0.518035 0.160655 Mn\n0.160655 0.160655 0.518035 Mn\n0.160655 0.160655 0.160655 Mn\n0.279659 0.573447 0.573447 Mn\n0.573447 0.279659 0.573447 Mn\n0.573447 0.573447 0.279659 Mn\n0.573447 0.573447 0.573447 Mn\n0.978060 0.673980 0.673980 Mn\n0.673980 0.978060 0.673980 Mn\n0.673980 0.673980 0.978060 Mn\n0.673980 0.673980 0.673980 Mn\n0.198439 0.801561 0.198439 Mn\n0.198439 0.801561 0.801561 Mn\n0.198439 0.198439 0.801561 Mn\n0.801561 0.198439 0.801561 Mn\n0.801561 0.198439 0.198439 Mn\n0.801561 0.801561 0.198439 Mn\n",
"nsites": 22,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 5.789877363368063,
"density_atomic": 0.06346686795532967,
"volume": 346.6375560786206,
"volume_molar": 9.488637070035667,
"formula_full": "Mn22",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -183.81946655,
"energy_per_atom": -8.355430297727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.81946655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.9884061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.072000Z",
"spacegroup": 216
},
{
"id": "mp-582819",
"created_at": "2022-09-04T14:42:58.453356Z",
"structure_string": "Pu8\n1.0\n3.059625 -5.299425 0.000000\n3.059625 5.299425 0.000000\n0.000000 0.000000 5.182756\nPu\n8\ndirect\n0.737358 0.657256 0.750000 Pu\n0.342744 0.080103 0.750000 Pu\n0.080103 0.737358 0.250000 Pu\n0.657256 0.919897 0.250000 Pu\n0.919897 0.262642 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.262642 0.342744 0.250000 Pu\n0.333333 0.666667 0.750000 Pu\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 19.285957305362466,
"density_atomic": 0.04759948755097521,
"volume": 168.06903627759954,
"volume_molar": 12.651692423265635,
"formula_full": "Pu8",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -113.28428353,
"energy_per_atom": -14.16053544125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.28428353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.1501701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.908000Z",
"spacegroup": 176
},
{
"id": "mp-10018",
"created_at": "2022-09-04T14:42:04.680859Z",
"structure_string": "Ac1\n1.0\n0.000000 2.831128 2.831128\n2.831128 0.000000 2.831128\n2.831128 2.831128 0.000000\nAc\n1\ndirect\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ac"
],
"chemical_system": "Ac",
"density": 8.305512650126095,
"density_atomic": 0.022033905850354526,
"volume": 45.38459984315082,
"volume_molar": 27.331244859172816,
"formula_full": "Ac1",
"formula_reduced": "Ac",
"formula_anonymous": "A",
"energy": -4.10076552,
"energy_per_atom": -4.10076552,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.10076552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016823,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.982000Z",
"spacegroup": 225
},
{
"id": "mp-568087",
"created_at": "2022-09-04T14:43:55.399579Z",
"structure_string": "Bi4\n1.0\n-4.449748 4.449748 2.065632\n4.449748 -4.449748 2.065632\n4.449748 4.449748 -2.065632\nBi\n4\ndirect\n0.354344 0.854344 0.208689 Bi\n0.645656 0.145656 0.791311 Bi\n0.854344 0.645656 0.500000 Bi\n0.145656 0.354344 0.500000 Bi\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 8.484590133194276,
"density_atomic": 0.024449850842787436,
"volume": 163.60018004690514,
"volume_molar": 24.630582815095156,
"formula_full": "Bi4",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -14.68937008,
"energy_per_atom": -3.67234252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.68937008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.03e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.798000Z",
"spacegroup": 140
},
{
"id": "mp-974788",
"created_at": "2022-09-04T14:41:07.926935Z",
"structure_string": "Nd3\n1.0\n9.013033 -1.855996 0.000000\n9.013033 1.855996 0.000000\n8.630839 0.000000 3.191879\nNd\n3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.777290 0.777290 0.777290 Nd\n0.222710 0.222710 0.222710 Nd\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.728800860293036,
"density_atomic": 0.028092917417047204,
"volume": 106.78848178934791,
"volume_molar": 21.436508962738323,
"formula_full": "Nd3",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -14.29629073,
"energy_per_atom": -4.765430243333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.29629073,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0462911,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.722000Z",
"spacegroup": 166
},
{
"id": "mp-867200",
"created_at": "2022-09-04T14:41:27.638568Z",
"structure_string": "Pm4\n1.0\n1.837611 -3.182835 0.000000\n1.837611 3.182835 0.000000\n0.000000 0.000000 11.825740\nPm\n4\ndirect\n0.000000 0.000000 0.000000 Pm\n0.333333 0.666667 0.250000 Pm\n0.000000 0.000000 0.500000 Pm\n0.666667 0.333333 0.750000 Pm\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pm"
],
"chemical_system": "Pm",
"density": 6.962273214756299,
"density_atomic": 0.028915716774709995,
"volume": 138.33307440258386,
"volume_molar": 20.826531145397823,
"formula_full": "Pm4",
"formula_reduced": "Pm",
"formula_anonymous": "A",
"energy": -19.00216929,
"energy_per_atom": -4.7505423225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.00216929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0148421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.719000Z",
"spacegroup": 194
},
{
"id": "mp-614502",
"created_at": "2022-09-04T14:45:16.611696Z",
"structure_string": "Gd1\n1.0\n0.000000 2.521600 2.521600\n2.521600 0.000000 2.521600\n2.521600 2.521600 0.000000\nGd\n1\ndirect\n0.000000 0.000000 0.000000 Gd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 8.14293875720926,
"density_atomic": 0.031184688974829945,
"volume": 32.067018555391996,
"volume_molar": 19.311209949410244,
"formula_full": "Gd1",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -14.02770758,
"energy_per_atom": -14.02770758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.02770758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4492425,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.128000Z",
"spacegroup": 225
},
{
"id": "mp-1239193",
"created_at": "2022-09-04T14:39:33.639591Z",
"structure_string": "Rh2\n1.0\n5.086717 0.000000 0.000000\n0.000000 2.548028 0.000000\n0.000000 0.000000 2.548028\nRh\n2\ndirect\n0.250000 0.500000 0.500000 Rh\n0.750000 0.500000 0.500000 Rh\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rh"
],
"chemical_system": "Rh",
"density": 10.348364365248235,
"density_atomic": 0.06055974351694433,
"volume": 33.02523894343128,
"volume_molar": 9.944131877498842,
"formula_full": "Rh2",
"formula_reduced": "Rh",
"formula_anonymous": "A",
"energy": -13.1436029,
"energy_per_atom": -6.57180145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.1436029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.373000Z",
"spacegroup": 221
},
{
"id": "mp-623532",
"created_at": "2022-09-04T14:44:02.944976Z",
"structure_string": "Eu1\n1.0\n0.000000 2.758257 2.758257\n2.758257 0.000000 2.758257\n2.758257 2.758257 0.000000\nEu\n1\ndirect\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 6.0125075022655246,
"density_atomic": 0.02382680536950316,
"volume": 41.9695374387008,
"volume_molar": 25.274646208794607,
"formula_full": "Eu1",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -10.2570018,
"energy_per_atom": -10.2570018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.2570018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3625888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.949000Z",
"spacegroup": 225
},
{
"id": "mp-973783",
"created_at": "2022-09-04T14:40:08.398703Z",
"structure_string": "H4\n1.0\n2.399335 -2.420787 0.000000\n2.399335 2.420787 0.000000\n0.000000 0.000000 3.757380\nH\n4\ndirect\n0.052507 0.052507 0.073940 H\n0.552507 0.552507 0.426060 H\n0.447493 0.447493 0.573940 H\n0.947493 0.947493 0.926060 H\n",
"nsites": 4,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.15338439812659702,
"density_atomic": 0.0916426013676865,
"volume": 43.64782252253278,
"volume_molar": 6.571333277454767,
"formula_full": "H4",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -13.5572767,
"energy_per_atom": -3.389319175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.5572767,
"band_gap": 8.8022,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.223000Z",
"spacegroup": 64
},
{
"id": "mp-604313",
"created_at": "2022-09-04T14:46:53.760565Z",
"structure_string": "Li4\n1.0\n4.457586 0.000000 0.000000\n0.000000 4.457586 0.000000\n0.000000 0.000000 4.457586\nLi\n4\ndirect\n0.875000 0.125000 0.625000 Li\n0.375000 0.375000 0.375000 Li\n0.125000 0.625000 0.875000 Li\n0.625000 0.875000 0.125000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5205134318254991,
"density_atomic": 0.04516071394621916,
"volume": 88.57255898929115,
"volume_molar": 13.334910442672868,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -6.58849649,
"energy_per_atom": -1.6471241225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58849649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.145000Z",
"spacegroup": 213
},
{
"id": "mp-1077723",
"created_at": "2022-09-04T14:39:29.549581Z",
"structure_string": "Zr6\n1.0\n-2.749933 3.100227 4.160119\n2.749933 -3.100227 4.160119\n2.749933 3.100227 -4.160119\nZr\n6\ndirect\n0.750000 0.500000 0.250000 Zr\n0.250000 0.500000 0.750000 Zr\n0.822893 0.905336 0.082443 Zr\n0.322893 0.740450 0.417557 Zr\n0.177107 0.094664 0.917557 Zr\n0.677107 0.259550 0.582443 Zr\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 6.406607342244427,
"density_atomic": 0.0422931369183311,
"volume": 141.8669892371928,
"volume_molar": 14.239049639729668,
"formula_full": "Zr6",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -51.191718,
"energy_per_atom": -8.531953,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.191718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.97e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.069000Z",
"spacegroup": 72
}
]
}