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=-density&page=12154",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12152",
"results": [
{
"id": "mp-1096573",
"created_at": "2022-09-04T14:41:57.846751Z",
"structure_string": "Sc2 Zn1 Co1\n1.0\n-4.970080 5.627248 8.030064\n4.970080 -5.627248 8.030064\n4.970080 5.627248 -8.030064\nSc Zn Co\n2 1 1\ndirect\n0.000000 0.206643 0.206643 Sc\n0.000000 0.793357 0.793357 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Co"
],
"chemical_system": "Co-Sc-Zn",
"density": 0.39604053807680883,
"density_atomic": 0.004452680755153333,
"volume": 898.3352321790821,
"volume_molar": 135.24753044624285,
"formula_full": "Sc2 Zn1 Co1",
"formula_reduced": "Sc2ZnCo",
"formula_anonymous": "ABC2",
"energy": -12.54208586,
"energy_per_atom": -3.135521465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.54208586,
"band_gap": 0.5234000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.4527438,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.312000Z",
"spacegroup": 71
},
{
"id": "mp-1096555",
"created_at": "2022-09-04T14:45:19.633861Z",
"structure_string": "Ba2 Cd1 Ga1\n1.0\n-6.975542 6.977127 9.839568\n6.975542 -6.977127 9.839568\n6.975542 6.977127 -9.839568\nBa Cd Ga\n2 1 1\ndirect\n0.000000 0.229714 0.229714 Ba\n0.000000 0.770286 0.770286 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ga"
],
"chemical_system": "Ba-Cd-Ga",
"density": 0.395979930266193,
"density_atomic": 0.0020881869742831087,
"volume": 1915.5372815086312,
"volume_molar": 288.39087850681807,
"formula_full": "Ba2 Cd1 Ga1",
"formula_reduced": "Ba2CdGa",
"formula_anonymous": "ABC2",
"energy": -3.34755636,
"energy_per_atom": -0.83688909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.34755636,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7484613,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.578000Z",
"spacegroup": 71
},
{
"id": "mp-1212847",
"created_at": "2022-09-04T14:47:00.001792Z",
"structure_string": "Fe8 H12 F8\n1.0\n17.167813 0.000000 0.000000\n0.000000 17.167813 0.000000\n0.000000 0.000000 8.715588\nFe H F\n8 12 8\ndirect\n0.249873 0.249945 0.636748 Fe\n0.750127 0.750055 0.636748 Fe\n0.749945 0.250127 0.636748 Fe\n0.250127 0.250055 0.363252 Fe\n0.250055 0.749873 0.636748 Fe\n0.749873 0.749945 0.363252 Fe\n0.750055 0.249873 0.363252 Fe\n0.249945 0.750127 0.363252 Fe\n0.147584 0.025520 0.360726 H\n0.852416 0.974480 0.360726 H\n0.525520 0.352416 0.360726 H\n0.352416 0.474480 0.639274 H\n0.474480 0.647584 0.360726 H\n0.647584 0.525520 0.639274 H\n0.974480 0.147584 0.639274 H\n0.025520 0.852416 0.639274 H\n0.750000 0.250000 0.000000 H\n0.250000 0.750000 0.000000 H\n0.750000 0.750000 0.000000 H\n0.250000 0.250000 0.000000 H\n0.250032 0.249953 0.130915 F\n0.749968 0.750047 0.130915 F\n0.749953 0.249968 0.130915 F\n0.249968 0.250047 0.869085 F\n0.250047 0.750032 0.130915 F\n0.750032 0.749953 0.869085 F\n0.750047 0.250032 0.869085 F\n0.249953 0.749968 0.869085 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Fe",
"H",
"F"
],
"chemical_system": "F-Fe-H",
"density": 0.3948677880210702,
"density_atomic": 0.010900122804500178,
"volume": 2568.7783983901577,
"volume_molar": 55.248375344117456,
"formula_full": "Fe8 H12 F8",
"formula_reduced": "Fe2H3F2",
"formula_anonymous": "A2B2C3",
"energy": -114.1974902,
"energy_per_atom": -4.078481792857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.3054902,
"band_gap": 1.4885000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 36.0133899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.334000Z",
"spacegroup": 85
},
{
"id": "mp-1077305",
"created_at": "2022-09-04T14:42:29.172705Z",
"structure_string": "Tl2 Cl4\n1.0\n5.179284 16.892919 0.000000\n-5.179284 16.892919 0.000000\n0.000000 2.314405 13.235718\nTl Cl\n2 4\ndirect\n0.032923 0.032923 0.708384 Tl\n0.967077 0.967077 0.291616 Tl\n0.102114 0.102114 0.600275 Cl\n0.897886 0.897886 0.399725 Cl\n0.531818 0.531818 0.709293 Cl\n0.468182 0.468182 0.290707 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 0.3947448730169604,
"density_atomic": 0.002590593812129248,
"volume": 2316.0713084034237,
"volume_molar": 232.46179049004647,
"formula_full": "Tl2 Cl4",
"formula_reduced": "TlCl2",
"formula_anonymous": "AB2",
"energy": -14.013476649999998,
"energy_per_atom": -2.3355794416666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.55747665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2096494,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.977000Z",
"spacegroup": 12
},
{
"id": "mp-1097050",
"created_at": "2022-09-04T14:41:26.260746Z",
"structure_string": "Y1 Mg1 Cu2\n1.0\n-5.482431 5.702288 8.090345\n5.482431 -5.702288 8.090345\n5.482431 5.702288 -8.090345\nY Mg Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.251518 0.251518 Cu\n0.000000 0.748482 0.748482 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 0.394419758990937,
"density_atomic": 0.003953763025265051,
"volume": 1011.6944223615549,
"volume_molar": 152.31415543920437,
"formula_full": "Y1 Mg1 Cu2",
"formula_reduced": "YMgCu2",
"formula_anonymous": "ABC2",
"energy": -8.79269075,
"energy_per_atom": -2.1981726875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.79269075,
"band_gap": 0.0773000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999673,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.625000Z",
"spacegroup": 71
},
{
"id": "mp-1097685",
"created_at": "2022-09-04T14:45:57.962550Z",
"structure_string": "Na1 Y1 In2\n1.0\n-6.202577 6.475940 8.950473\n6.202577 -6.475940 8.950473\n6.202577 6.475940 -8.950473\nNa Y In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.251564 0.251564 In\n0.000000 0.748436 0.748436 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Y",
"In"
],
"chemical_system": "In-Na-Y",
"density": 0.3943656280090827,
"density_atomic": 0.0027814997962460025,
"volume": 1438.073087547417,
"volume_molar": 216.5069639094587,
"formula_full": "Na1 Y1 In2",
"formula_reduced": "NaYIn2",
"formula_anonymous": "ABC2",
"energy": -7.25419211,
"energy_per_atom": -1.8135480275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.25419211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0018612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.316000Z",
"spacegroup": 71
},
{
"id": "mp-1097314",
"created_at": "2022-09-04T14:45:53.636626Z",
"structure_string": "Mn1 Ga1 Fe2\n1.0\n5.780791 9.916800 0.000000\n-5.780791 9.916800 0.000000\n0.000000 4.613663 8.681599\nMn Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.000184 0.000184 0.255734 Fe\n0.999816 0.999816 0.744266 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Mn",
"density": 0.3942921074962108,
"density_atomic": 0.0040185691968822115,
"volume": 995.3791521378758,
"volume_molar": 149.85783409359357,
"formula_full": "Mn1 Ga1 Fe2",
"formula_reduced": "MnGaFe2",
"formula_anonymous": "ABC2",
"energy": -18.60783011,
"energy_per_atom": -4.6519575275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.60783011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9364694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.175000Z",
"spacegroup": 12
},
{
"id": "mp-1096516",
"created_at": "2022-09-04T14:41:11.833732Z",
"structure_string": "Ca2 Ag1 Pd1\n1.0\n-5.563069 6.285391 8.884425\n5.563069 -6.285391 8.884425\n5.563069 6.285391 -8.884425\nCa Ag Pd\n2 1 1\ndirect\n0.000000 0.230886 0.230886 Ca\n0.000000 0.769114 0.769114 Ca\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Pd"
],
"chemical_system": "Ag-Ca-Pd",
"density": 0.39347399846195263,
"density_atomic": 0.003219021879129248,
"volume": 1242.6134863929562,
"volume_molar": 187.0798331333182,
"formula_full": "Ca2 Ag1 Pd1",
"formula_reduced": "Ca2AgPd",
"formula_anonymous": "ABC2",
"energy": -8.33607295,
"energy_per_atom": -2.0840182375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.33607295,
"band_gap": 0.0121999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.344000Z",
"spacegroup": 71
},
{
"id": "mp-1210528",
"created_at": "2022-09-04T14:45:59.287570Z",
"structure_string": "Na2 Li1 S2\n1.0\n6.060424 0.000000 0.000000\n0.000000 6.060424 0.000000\n0.000000 0.000000 13.479809\nNa Li S\n2 1 2\ndirect\n0.500000 0.500000 0.648052 Na\n0.500000 0.500000 0.351948 Na\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.168784 S\n0.500000 0.500000 0.831216 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Li",
"S"
],
"chemical_system": "Li-Na-S",
"density": 0.3925841452632091,
"density_atomic": 0.010099043596132038,
"volume": 495.09638733662007,
"volume_molar": 59.63080268617215,
"formula_full": "Na2 Li1 S2",
"formula_reduced": "Na2LiS2",
"formula_anonymous": "AB2C2",
"energy": -12.76159012,
"energy_per_atom": -2.552318024,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.75559012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3667054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.828000Z",
"spacegroup": 123
},
{
"id": "mp-1093907",
"created_at": "2022-09-04T14:42:55.836032Z",
"structure_string": "Y2 Ge1 Pd1\n1.0\n-5.125681 7.230895 10.195242\n5.125681 -7.230895 10.195242\n5.125681 7.230895 -10.195242\nY Ge Pd\n2 1 1\ndirect\n0.000000 0.249504 0.249504 Y\n0.000000 0.750496 0.750496 Y\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Y",
"density": 0.3920667815868962,
"density_atomic": 0.0026464203766814838,
"volume": 1511.4756654858652,
"volume_molar": 227.55798032176384,
"formula_full": "Y2 Ge1 Pd1",
"formula_reduced": "Y2GePd",
"formula_anonymous": "ABC2",
"energy": -16.01281863,
"energy_per_atom": -4.0032046575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.01281863,
"band_gap": 0.0006999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0074179,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.616000Z",
"spacegroup": 71
},
{
"id": "mp-1096067",
"created_at": "2022-09-04T14:43:08.899773Z",
"structure_string": "Y1 Sc1 Cd2\n1.0\n-6.165934 6.463856 9.529692\n6.165934 -6.463856 9.529692\n6.165934 6.463856 -9.529692\nY Sc Cd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.241220 0.241220 Cd\n0.000000 0.758780 0.758780 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Cd"
],
"chemical_system": "Cd-Sc-Y",
"density": 0.3920409323015227,
"density_atomic": 0.002632877123461514,
"volume": 1519.2505432008513,
"volume_molar": 228.7285155215497,
"formula_full": "Y1 Sc1 Cd2",
"formula_reduced": "YScCd2",
"formula_anonymous": "ABC2",
"energy": -6.59413413,
"energy_per_atom": -1.6485335325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.59413413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8109573,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.456000Z",
"spacegroup": 71
},
{
"id": "mp-1096651",
"created_at": "2022-09-04T14:45:42.729894Z",
"structure_string": "Mg2 Cd1 Ag1\n1.0\n-5.643985 5.981177 8.451988\n5.643985 -5.981177 8.451988\n5.643985 5.981177 -8.451988\nMg Cd Ag\n2 1 1\ndirect\n0.000000 0.236818 0.236818 Mg\n0.000000 0.763182 0.763182 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Mg",
"density": 0.39122904357131755,
"density_atomic": 0.0035048434382650446,
"volume": 1141.2777975555068,
"volume_molar": 171.82338857855115,
"formula_full": "Mg2 Cd1 Ag1",
"formula_reduced": "Mg2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.2828452,
"energy_per_atom": -0.8207113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.2828452,
"band_gap": 0.0070999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.483000Z",
"spacegroup": 71
}
]
}