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=12129",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12127",
"results": [
{
"id": "mp-1187887",
"created_at": "2022-09-04T14:42:07.505048Z",
"structure_string": "Th1 In1\n1.0\n3.509276 0.000000 0.000000\n0.000000 3.509276 0.000000\n0.000000 0.000000 4.660228\nTh In\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Th",
"In"
],
"chemical_system": "In-Th",
"density": 10.03589633369135,
"density_atomic": 0.034848796007855926,
"volume": 57.390791909974226,
"volume_molar": 17.280771360486703,
"formula_full": "Th1 In1",
"formula_reduced": "ThIn",
"formula_anonymous": "AB",
"energy": -10.74404654,
"energy_per_atom": -5.37202327,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.74404654,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.859000Z",
"spacegroup": 123
},
{
"id": "mp-997616",
"created_at": "2022-09-04T14:45:10.125024Z",
"structure_string": "Ba1 C1\n1.0\n0.000000 3.008617 3.008617\n3.008617 0.000000 3.008617\n3.008617 3.008617 0.000000\nBa C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 4.552897202812625,
"density_atomic": 0.03671971354938911,
"volume": 54.466655828072845,
"volume_molar": 16.40029340615645,
"formula_full": "Ba1 C1",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy": -8.36102614,
"energy_per_atom": -4.18051307,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.36102614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.338000Z",
"spacegroup": 225
},
{
"id": "mp-556853",
"created_at": "2022-09-04T14:45:15.302138Z",
"structure_string": "Mn1 S1\n1.0\n3.099040 0.000000 0.000000\n0.000000 3.099040 0.000000\n0.000000 0.000000 3.099040\nMn S\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 4.854024954333289,
"density_atomic": 0.067196778084375,
"volume": 29.763331769995265,
"volume_molar": 8.961948670274571,
"formula_full": "Mn1 S1",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
"energy": -13.90016931,
"energy_per_atom": -6.950084655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.39716931,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2864285,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.151000Z",
"spacegroup": 221
},
{
"id": "mp-463",
"created_at": "2022-09-04T14:45:12.969509Z",
"structure_string": "K1 F1\n1.0\n0.000000 2.711992 2.711992\n2.711992 0.000000 2.711992\n2.711992 2.711992 0.000000\nK F\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"F"
],
"chemical_system": "F-K",
"density": 2.4182732829403464,
"density_atomic": 0.05013428063521097,
"volume": 39.892863219729406,
"volume_molar": 12.012021881431865,
"formula_full": "K1 F1",
"formula_reduced": "KF",
"formula_anonymous": "AB",
"energy": -8.89371896,
"energy_per_atom": -4.44685948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.43171896,
"band_gap": 5.949400000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.579000Z",
"spacegroup": 225
},
{
"id": "mp-1227075",
"created_at": "2022-09-04T14:45:18.683012Z",
"structure_string": "Ca1 Y1\n1.0\n-0.282812 0.000000 -3.943186\n0.141406 -2.933238 1.971593\n-6.158148 0.000000 0.471962\nCa Y\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Y\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Y"
],
"chemical_system": "Ca-Y",
"density": 2.9906050751548676,
"density_atomic": 0.02792573601482171,
"volume": 71.61852417921916,
"volume_molar": 21.564841681536066,
"formula_full": "Ca1 Y1",
"formula_reduced": "CaY",
"formula_anonymous": "AB",
"energy": -8.18892545,
"energy_per_atom": -4.094462725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.18892545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016827,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.402000Z",
"spacegroup": 65
},
{
"id": "mp-567089",
"created_at": "2022-09-04T14:45:11.708009Z",
"structure_string": "Yb1 Rh1\n1.0\n3.320754 0.000000 0.000000\n0.000000 3.320754 0.000000\n0.000000 0.000000 3.320754\nYb Rh\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Rh"
],
"chemical_system": "Rh-Yb",
"density": 12.51302465569802,
"density_atomic": 0.05461599905488957,
"volume": 36.61930633164802,
"volume_molar": 11.026330863137181,
"formula_full": "Yb1 Rh1",
"formula_reduced": "YbRh",
"formula_anonymous": "AB",
"energy": -10.11719602,
"energy_per_atom": -5.05859801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.11719602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018427,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.415000Z",
"spacegroup": 221
},
{
"id": "mp-12771",
"created_at": "2022-09-04T14:45:19.661585Z",
"structure_string": "Se2\n1.0\n0.000000 3.171379 3.171379\n3.171379 0.000000 3.171379\n3.171379 3.171379 0.000000\nSe\n2\ndirect\n0.500000 0.500000 0.500000 Se\n0.750000 0.750000 0.750000 Se\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 4.110662289330585,
"density_atomic": 0.031351300572096535,
"volume": 63.79320677305654,
"volume_molar": 19.208583535956592,
"formula_full": "Se2",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -5.96357348,
"energy_per_atom": -2.98178674,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.96357348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007519,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.414000Z",
"spacegroup": 227
},
{
"id": "mp-1219463",
"created_at": "2022-09-04T14:45:17.355606Z",
"structure_string": "Sb1 Te1\n1.0\n4.379812 -2.059525 0.000000\n4.379812 2.059525 0.000000\n3.411358 0.000000 3.433225\nSb Te\n1 1\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 6.685302873859346,
"density_atomic": 0.03229053171601415,
"volume": 61.93766078519299,
"volume_molar": 18.649865579678213,
"formula_full": "Sb1 Te1",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
"energy": -7.62728452,
"energy_per_atom": -3.81364226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.20528452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.303000Z",
"spacegroup": 166
},
{
"id": "mp-13496",
"created_at": "2022-09-04T14:45:08.634721Z",
"structure_string": "Zr1 Pd1\n1.0\n3.360046 0.000000 0.000000\n0.000000 3.360046 0.000000\n0.000000 0.000000 3.360046\nZr Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Pd"
],
"chemical_system": "Pd-Zr",
"density": 8.651612572071873,
"density_atomic": 0.05272229739127676,
"volume": 37.93461398612938,
"volume_molar": 11.42237925503679,
"formula_full": "Zr1 Pd1",
"formula_reduced": "ZrPd",
"formula_anonymous": "AB",
"energy": -14.90245204,
"energy_per_atom": -7.45122602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.90245204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009326,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.229000Z",
"spacegroup": 221
},
{
"id": "mp-1057139",
"created_at": "2022-09-04T14:45:10.298231Z",
"structure_string": "Mn2\n1.0\n-2.181046 2.181046 1.252428\n2.181046 -2.181046 1.252428\n2.181046 2.181046 -1.252428\nMn\n2\ndirect\n0.250000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 7.656140303944365,
"density_atomic": 0.0839242725229766,
"volume": 23.831007882164773,
"volume_molar": 7.175684195953288,
"formula_full": "Mn2",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy": -17.00899084,
"energy_per_atom": -8.50449542,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.00899084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.184898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.730000Z",
"spacegroup": 141
},
{
"id": "mp-1002105",
"created_at": "2022-09-04T14:45:11.014902Z",
"structure_string": "V1 N1\n1.0\n2.548104 0.000000 0.000000\n0.000000 2.548104 0.000000\n0.000000 0.000000 2.548104\nV N\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"N"
],
"chemical_system": "N-V",
"density": 6.518756638027997,
"density_atomic": 0.12088670684624148,
"volume": 16.544416273526625,
"volume_molar": 4.981640179560601,
"formula_full": "V1 N1",
"formula_reduced": "VN",
"formula_anonymous": "AB",
"energy": -18.74770589,
"energy_per_atom": -9.373852945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.38670589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.411000Z",
"spacegroup": 221
},
{
"id": "mp-982596",
"created_at": "2022-09-04T14:45:08.839688Z",
"structure_string": "Tb1 Sc1\n1.0\n1.747879 -3.027415 0.000000\n1.747879 3.027415 0.000000\n0.000000 0.000000 5.404029\nTb Sc\n1 1\ndirect\n0.333333 0.666667 0.000000 Tb\n0.666667 0.333333 0.500000 Sc\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tb",
"Sc"
],
"chemical_system": "Sc-Tb",
"density": 5.919641703147108,
"density_atomic": 0.03497027166472761,
"volume": 57.19143446109624,
"volume_molar": 17.220743429551813,
"formula_full": "Tb1 Sc1",
"formula_reduced": "TbSc",
"formula_anonymous": "AB",
"energy": -10.85598429,
"energy_per_atom": -5.427992145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.85598429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4567119,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.626000Z",
"spacegroup": 187
}
]
}