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=22",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=20",
"results": [
{
"id": "mp-1038934",
"created_at": "2022-09-04T14:39:49.750993Z",
"structure_string": "Mg1 Al1\n1.0\n3.379818 0.000000 0.000000\n0.000000 3.379818 0.000000\n0.000000 0.000000 3.379818\nMg Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Al"
],
"chemical_system": "Al-Mg",
"density": 2.2058325584841256,
"density_atomic": 0.05180242039096375,
"volume": 38.60823461347134,
"volume_molar": 11.62521116687143,
"formula_full": "Mg1 Al1",
"formula_reduced": "MgAl",
"formula_anonymous": "AB",
"energy": -5.2160099,
"energy_per_atom": -2.60800495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.2160099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.862000Z",
"spacegroup": 221
},
{
"id": "mp-1039270",
"created_at": "2022-09-04T14:39:59.484669Z",
"structure_string": "Ce1 Mg1\n1.0\n0.000000 3.207483 3.207483\n3.207483 0.000000 3.207483\n3.207483 3.207483 0.000000\nCe Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.136978818499538,
"density_atomic": 0.030304485162786107,
"volume": 65.99683146757428,
"volume_molar": 19.872110440586486,
"formula_full": "Ce1 Mg1",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -6.24786899,
"energy_per_atom": -3.123934495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.24786899,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2831727,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.553000Z",
"spacegroup": 225
},
{
"id": "mp-1096840",
"created_at": "2022-09-04T14:40:04.554466Z",
"structure_string": "Ba2\n1.0\n2.454345 -3.632532 0.000000\n2.454345 3.632532 0.000000\n0.000000 0.000000 7.278134\nBa\n2\ndirect\n0.255870 0.255870 0.250000 Ba\n0.744130 0.744130 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.514308831818658,
"density_atomic": 0.015411144543051867,
"volume": 129.77621450586565,
"volume_molar": 39.07653155271384,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -3.83779937,
"energy_per_atom": -1.918899685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.83779937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.030000Z",
"spacegroup": 63
},
{
"id": "mp-1060884",
"created_at": "2022-09-04T14:40:06.911766Z",
"structure_string": "U1 Cd1\n1.0\n6.382642 -1.465434 0.000000\n6.382642 1.465434 0.000000\n6.046182 0.000000 2.515808\nU Cd\n1 1\ndirect\n0.688121 0.688121 0.688121 U\n0.866879 0.866879 0.866879 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Cd"
],
"chemical_system": "Cd-U",
"density": 12.364837662712269,
"density_atomic": 0.0424967538115938,
"volume": 47.06241819944299,
"volume_molar": 14.170825345151572,
"formula_full": "U1 Cd1",
"formula_reduced": "UCd",
"formula_anonymous": "AB",
"energy": -11.39373626,
"energy_per_atom": -5.69686813,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.39373626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0120559,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.684000Z",
"spacegroup": 160
},
{
"id": "mp-2050",
"created_at": "2022-09-04T14:40:07.527193Z",
"structure_string": "Ho1 Sb1\n1.0\n0.000000 3.090637 3.090637\n3.090637 0.000000 3.090637\n3.090637 3.090637 0.000000\nHo Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"Sb"
],
"chemical_system": "Ho-Sb",
"density": 8.062841688700322,
"density_atomic": 0.03387318245815151,
"volume": 59.04375836167422,
"volume_molar": 17.778491192671456,
"formula_full": "Ho1 Sb1",
"formula_reduced": "HoSb",
"formula_anonymous": "AB",
"energy": -11.11526614,
"energy_per_atom": -5.55763307,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.92326614,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003768,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.686000Z",
"spacegroup": 225
},
{
"id": "mp-1217894",
"created_at": "2022-09-04T14:40:10.300989Z",
"structure_string": "Ta1 Re1\n1.0\n1.599387 -2.302371 0.000000\n1.599387 2.302371 0.000000\n0.000000 0.000000 4.467671\nTa Re\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Re\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Re"
],
"chemical_system": "Re-Ta",
"density": 18.529271914578253,
"density_atomic": 0.06078409399786087,
"volume": 32.903344747893826,
"volume_molar": 9.907428677331167,
"formula_full": "Ta1 Re1",
"formula_reduced": "TaRe",
"formula_anonymous": "AB",
"energy": -24.70207745,
"energy_per_atom": -12.351038725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.70207745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002459,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.265000Z",
"spacegroup": 65
},
{
"id": "mp-24084",
"created_at": "2022-09-04T14:47:45.180694Z",
"structure_string": "K1 H1\n1.0\n0.000000 2.848171 2.848171\n2.848171 0.000000 2.848171\n2.848171 2.848171 0.000000\nK H\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"H"
],
"chemical_system": "H-K",
"density": 1.4412285931854134,
"density_atomic": 0.043281451756627946,
"volume": 46.2091708763842,
"volume_molar": 13.91390657102391,
"formula_full": "K1 H1",
"formula_reduced": "KH",
"formula_anonymous": "AB",
"energy": -5.059014530000001,
"energy_per_atom": -2.5295072650000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.88001453,
"band_gap": 3.4331,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.939000Z",
"spacegroup": 225
},
{
"id": "mp-567465",
"created_at": "2022-09-04T14:48:12.394937Z",
"structure_string": "Tl1 C1\n1.0\n0.000000 2.516256 2.516256\n2.516256 0.000000 2.516256\n2.516256 2.516256 0.000000\nTl C\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"C"
],
"chemical_system": "C-Tl",
"density": 11.277162700134701,
"density_atomic": 0.06276760092895552,
"volume": 31.863572454581004,
"volume_molar": 9.594345921897276,
"formula_full": "Tl1 C1",
"formula_reduced": "TlC",
"formula_anonymous": "AB",
"energy": -7.37525324,
"energy_per_atom": -3.68762662,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.37525324,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010691,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.645000Z",
"spacegroup": 225
},
{
"id": "mp-1002122",
"created_at": "2022-09-04T14:40:16.125795Z",
"structure_string": "Hf1 Ir1\n1.0\n3.284961 0.000000 0.000000\n0.000000 3.284961 0.000000\n0.000000 0.000000 3.284961\nHf Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 17.3655775067149,
"density_atomic": 0.05642081328934543,
"volume": 35.447911566664395,
"volume_molar": 10.673615655124255,
"formula_full": "Hf1 Ir1",
"formula_reduced": "HfIr",
"formula_anonymous": "AB",
"energy": -20.60674136,
"energy_per_atom": -10.30337068,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.60674136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.630000Z",
"spacegroup": 221
},
{
"id": "mp-1221583",
"created_at": "2022-09-04T14:40:16.397759Z",
"structure_string": "Mn1 Ir1\n1.0\n4.308280 -1.324597 0.000000\n4.308280 1.324597 0.000000\n3.901028 0.000000 2.257834\nMn Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn",
"density": 15.926079710024855,
"density_atomic": 0.07761046819974383,
"volume": 25.76971955448919,
"volume_molar": 7.75944392514292,
"formula_full": "Mn1 Ir1",
"formula_reduced": "MnIr",
"formula_anonymous": "AB",
"energy": -18.10818441,
"energy_per_atom": -9.054092205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.10818441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3729957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.128000Z",
"spacegroup": 166
},
{
"id": "mp-2229",
"created_at": "2022-09-04T14:48:05.312018Z",
"structure_string": "Zn1 O1\n1.0\n0.000000 2.169442 2.169442\n2.169442 0.000000 2.169442\n2.169442 2.169442 0.000000\nZn O\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"O"
],
"chemical_system": "O-Zn",
"density": 6.619789652587246,
"density_atomic": 0.09793904585582935,
"volume": 20.420864656411798,
"volume_molar": 6.148866070091043,
"formula_full": "Zn1 O1",
"formula_reduced": "ZnO",
"formula_anonymous": "AB",
"energy": -9.49491029,
"energy_per_atom": -4.747455145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.80791029,
"band_gap": 0.7218999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.901000Z",
"spacegroup": 225
},
{
"id": "mp-1238899",
"created_at": "2022-09-04T14:47:58.698288Z",
"structure_string": "Mn1 O1\n1.0\n2.970707 0.000508 1.718000\n0.991301 2.803818 1.716982\n0.326676 -1.871844 2.868113\nMn O\n1 1\ndirect\n0.000397 0.499801 0.499335 Mn\n0.499604 0.250198 0.750664 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.107990123910407,
"density_atomic": 0.06974847987667881,
"volume": 28.674460053268092,
"volume_molar": 8.634081732888877,
"formula_full": "Mn1 O1",
"formula_reduced": "MnO",
"formula_anonymous": "AB",
"energy": -17.908837769999998,
"energy_per_atom": -8.954418884999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.55383777,
"band_gap": 0.0053,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9999661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.994000Z",
"spacegroup": 216
}
]
}