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=12177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12175",
"results": [
{
"id": "mp-1179681",
"created_at": "2022-09-04T14:45:35.820247Z",
"structure_string": "Rb1 S1\n1.0\n5.075838 1.079849 3.402189\n-1.615877 1.768738 1.870539\n-3.184951 -2.992447 0.060155\nRb S\n1 1\ndirect\n0.747820 0.004288 0.495086 Rb\n0.247836 0.507424 0.496016 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"S"
],
"chemical_system": "Rb-S",
"density": 3.351071088942225,
"density_atomic": 0.03434040846699909,
"volume": 58.24042547199132,
"volume_molar": 17.53660200573106,
"formula_full": "Rb1 S1",
"formula_reduced": "RbS",
"formula_anonymous": "AB",
"energy": -6.56607056,
"energy_per_atom": -3.28303528,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.06307056,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.475000Z",
"spacegroup": 123
},
{
"id": "mp-23234",
"created_at": "2022-09-04T14:45:30.263879Z",
"structure_string": "Tm1 Bi1\n1.0\n0.000000 3.134187 3.134187\n3.134187 0.000000 3.134187\n3.134187 3.134187 0.000000\nTm Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Bi"
],
"chemical_system": "Bi-Tm",
"density": 10.191499064088207,
"density_atomic": 0.03248069289544386,
"volume": 61.57504110020215,
"volume_molar": 18.54067824041013,
"formula_full": "Tm1 Bi1",
"formula_reduced": "TmBi",
"formula_anonymous": "AB",
"energy": -9.9120668,
"energy_per_atom": -4.9560334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.9120668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015873,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.051000Z",
"spacegroup": 225
},
{
"id": "mp-16732",
"created_at": "2022-09-04T14:45:27.035151Z",
"structure_string": "Y1 As1\n1.0\n3.586772 0.000000 0.000000\n0.000000 3.586772 0.000000\n0.000000 0.000000 3.586772\nY As\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"As"
],
"chemical_system": "As-Y",
"density": 5.895551758810445,
"density_atomic": 0.043342971598094755,
"volume": 46.14358282919196,
"volume_molar": 13.894157548405651,
"formula_full": "Y1 As1",
"formula_reduced": "YAs",
"formula_anonymous": "AB",
"energy": -13.25434217,
"energy_per_atom": -6.627171085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.25434217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002713,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.717000Z",
"spacegroup": 221
},
{
"id": "mp-20895",
"created_at": "2022-09-04T14:45:32.105114Z",
"structure_string": "Np1 As1\n1.0\n3.501974 0.000000 0.000000\n0.000000 3.501974 0.000000\n0.000000 0.000000 3.501974\nNp As\n1 1\ndirect\n0.500000 0.500000 0.500000 Np\n0.000000 0.000000 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"As"
],
"chemical_system": "As-Np",
"density": 12.060235690026134,
"density_atomic": 0.046568392153164086,
"volume": 42.94758542279004,
"volume_molar": 12.931820235908287,
"formula_full": "Np1 As1",
"formula_reduced": "NpAs",
"formula_anonymous": "AB",
"energy": -18.70123299,
"energy_per_atom": -9.350616495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.70123299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9740269,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.424000Z",
"spacegroup": 221
},
{
"id": "mp-1009894",
"created_at": "2022-09-04T14:45:33.091496Z",
"structure_string": "Zr1 C1\n1.0\n0.000000 2.553076 2.553076\n2.553076 0.000000 2.553076\n2.553076 2.553076 0.000000\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"C"
],
"chemical_system": "C-Zr",
"density": 5.150549585961192,
"density_atomic": 0.06009090859708401,
"volume": 33.28290496338164,
"volume_molar": 10.021716929559345,
"formula_full": "Zr1 C1",
"formula_reduced": "ZrC",
"formula_anonymous": "AB",
"energy": -18.15793568,
"energy_per_atom": -9.07896784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.15793568,
"band_gap": 0.4780999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.248000Z",
"spacegroup": 216
},
{
"id": "mp-11561",
"created_at": "2022-09-04T14:45:42.850704Z",
"structure_string": "Tb1 Rh1\n1.0\n3.446418 0.000000 0.000000\n0.000000 3.446418 0.000000\n0.000000 0.000000 3.446418\nTb Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Rh"
],
"chemical_system": "Rh-Tb",
"density": 10.621016009933673,
"density_atomic": 0.04885692686567513,
"volume": 40.93585348703375,
"volume_molar": 12.326073591482704,
"formula_full": "Tb1 Rh1",
"formula_reduced": "TbRh",
"formula_anonymous": "AB",
"energy": -13.70327731,
"energy_per_atom": -6.851638655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.70327731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000175,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.912000Z",
"spacegroup": 221
},
{
"id": "mp-1625",
"created_at": "2022-09-04T14:45:37.849064Z",
"structure_string": "Sn1 Sb1\n1.0\n3.803308 0.000000 0.000000\n0.000000 3.803308 0.000000\n0.000000 0.000000 3.803308\nSn Sb\n1 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sn",
"Sb"
],
"chemical_system": "Sb-Sn",
"density": 7.2581428267809605,
"density_atomic": 0.03635343932645597,
"volume": 55.0154273448486,
"volume_molar": 16.565532372111566,
"formula_full": "Sn1 Sb1",
"formula_reduced": "SnSb",
"formula_anonymous": "AB",
"energy": -8.03205756,
"energy_per_atom": -4.01602878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.84005756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004895,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.977000Z",
"spacegroup": 221
},
{
"id": "mp-286",
"created_at": "2022-09-04T14:45:28.939797Z",
"structure_string": "Yb1 Se1\n1.0\n0.000000 2.957919 2.957919\n2.957919 0.000000 2.957919\n2.957919 2.957919 0.000000\nYb Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Se"
],
"chemical_system": "Se-Yb",
"density": 8.084642334388915,
"density_atomic": 0.03864036043553188,
"volume": 51.75935155513956,
"volume_molar": 15.585105035568766,
"formula_full": "Yb1 Se1",
"formula_reduced": "YbSe",
"formula_anonymous": "AB",
"energy": -9.67905931,
"energy_per_atom": -4.839529655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.20705931,
"band_gap": 1.9621,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.760000Z",
"spacegroup": 225
},
{
"id": "mp-2516",
"created_at": "2022-09-04T14:45:29.614874Z",
"structure_string": "Y1 Zn1\n1.0\n3.585441 0.000000 0.000000\n0.000000 3.585441 0.000000\n0.000000 0.000000 3.585441\nY Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 5.559414779735473,
"density_atomic": 0.04339125930960143,
"volume": 46.09223221040392,
"volume_molar": 13.878695515682917,
"formula_full": "Y1 Zn1",
"formula_reduced": "YZn",
"formula_anonymous": "AB",
"energy": -8.45970273,
"energy_per_atom": -4.229851365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.45970273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0545209,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.984000Z",
"spacegroup": 221
},
{
"id": "mp-1921",
"created_at": "2022-09-04T14:45:42.075434Z",
"structure_string": "Th1 Te1\n1.0\n3.851567 0.000000 0.000000\n0.000000 3.851567 0.000000\n0.000000 0.000000 3.851567\nTh Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Th",
"Te"
],
"chemical_system": "Te-Th",
"density": 10.452071515861466,
"density_atomic": 0.03500399591959559,
"volume": 57.13633393724571,
"volume_molar": 17.204152274022935,
"formula_full": "Th1 Te1",
"formula_reduced": "ThTe",
"formula_anonymous": "AB",
"energy": -13.17986071,
"energy_per_atom": -6.589930355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.75786071,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001492,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.649000Z",
"spacegroup": 221
},
{
"id": "mp-605790",
"created_at": "2022-09-04T14:45:37.669797Z",
"structure_string": "Ba1\n1.0\n2.142620 -3.711126 0.000000\n2.142620 3.711126 0.000000\n0.000000 0.000000 3.975379\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6069958370046016,
"density_atomic": 0.015817600805873813,
"volume": 63.22071294330891,
"volume_molar": 38.072403229216015,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.74350121,
"energy_per_atom": -1.74350121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.74350121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.098000Z",
"spacegroup": 191
},
{
"id": "mp-1184478",
"created_at": "2022-09-04T14:45:36.684642Z",
"structure_string": "In1\n1.0\n-1.915047 1.915047 1.915047\n1.915047 -1.915047 1.915047\n1.915047 1.915047 -1.915047\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.786733137072897,
"density_atomic": 0.03559604092227124,
"volume": 28.093011865663232,
"volume_molar": 16.918007182737423,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.71684631,
"energy_per_atom": -2.71684631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71684631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.153000Z",
"spacegroup": 229
}
]
}