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=-volume_molar&page=38",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=36",
"results": [
{
"id": "mp-1093578",
"created_at": "2022-09-04T14:46:12.865612Z",
"structure_string": "Ca2 Hg1 Bi1\n1.0\n-6.110811 6.598313 9.302533\n6.110811 -6.598313 9.302533\n6.110811 6.598313 -9.302533\nCa Hg Bi\n2 1 1\ndirect\n0.000000 0.267416 0.267416 Ca\n0.000000 0.732584 0.732584 Ca\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"Bi"
],
"chemical_system": "Bi-Ca-Hg",
"density": 0.542012919395413,
"density_atomic": 0.002666042178216822,
"volume": 1500.3513570349414,
"volume_molar": 225.88317653803583,
"formula_full": "Ca2 Hg1 Bi1",
"formula_reduced": "Ca2HgBi",
"formula_anonymous": "ABC2",
"energy": -5.39313568,
"energy_per_atom": -1.34828392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.39313568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.958000Z",
"spacegroup": 71
},
{
"id": "mp-1213463",
"created_at": "2022-09-04T14:46:36.597336Z",
"structure_string": "K1 Y3 O6\n1.0\n-5.350651 -9.267600 0.000000\n-4.020547 8.499664 0.000000\n0.000000 0.000000 -45.328639\nK Y O\n1 3 6\ndirect\n-0.000000 0.000000 -0.000000 K\n-0.000000 0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n-0.000000 0.500000 -0.000000 Y\n-0.000000 0.000000 0.769508 O\n-0.000000 0.000000 0.230492 O\n0.704423 0.718899 0.000000 O\n0.295577 0.281101 0.000000 O\n0.985524 0.281101 -0.000000 O\n0.014476 0.718899 0.000000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Y",
"O"
],
"chemical_system": "K-O-Y",
"density": 0.17790428117221682,
"density_atomic": 0.0026663314107420776,
"volume": 3750.4715129230162,
"volume_molar": 225.85867367192563,
"formula_full": "K1 Y3 O6",
"formula_reduced": "KY3O6",
"formula_anonymous": "AB3C6",
"energy": -51.18802172000001,
"energy_per_atom": -5.1188021720000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.06602172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3813047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.212000Z",
"spacegroup": 65
},
{
"id": "mp-1093696",
"created_at": "2022-09-04T14:43:24.159198Z",
"structure_string": "Ca2 Mg1 Al1\n1.0\n-6.396529 6.445862 9.091876\n6.396529 -6.445862 9.091876\n6.396529 6.445862 -9.091876\nCa Mg Al\n2 1 1\ndirect\n0.000000 0.270558 0.270558 Ca\n0.000000 0.729442 0.729442 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Al"
],
"chemical_system": "Al-Ca-Mg",
"density": 0.14556137983054152,
"density_atomic": 0.0026676025225893718,
"volume": 1499.4737657232777,
"volume_molar": 225.75105207782104,
"formula_full": "Ca2 Mg1 Al1",
"formula_reduced": "Ca2MgAl",
"formula_anonymous": "ABC2",
"energy": -3.26167003,
"energy_per_atom": -0.8154175075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.26167003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0000486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.429000Z",
"spacegroup": 71
},
{
"id": "mp-1097383",
"created_at": "2022-09-04T14:47:12.686029Z",
"structure_string": "Sr1 Sn1 Hg2\n1.0\n-6.172144 6.561467 9.255419\n6.172144 -6.561467 9.255419\n6.172144 6.561467 -9.255419\nSr Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sn\n0.000000 0.266717 0.266717 Hg\n0.000000 0.733283 0.733283 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"Hg"
],
"chemical_system": "Hg-Sn-Sr",
"density": 0.6728363621384672,
"density_atomic": 0.0026678838423363827,
"volume": 1499.3156510506187,
"volume_molar": 225.72724735744669,
"formula_full": "Sr1 Sn1 Hg2",
"formula_reduced": "SrSnHg2",
"formula_anonymous": "ABC2",
"energy": -2.84186983,
"energy_per_atom": -0.7104674575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.84186983,
"band_gap": 0.2035999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0018654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.782000Z",
"spacegroup": 71
},
{
"id": "mp-1093925",
"created_at": "2022-09-04T14:43:04.691268Z",
"structure_string": "Ba2 P1 Au1\n1.0\n-6.040241 6.620829 9.352943\n6.040241 -6.620829 9.352943\n6.040241 6.620829 -9.352943\nBa P Au\n2 1 1\ndirect\n0.000000 0.230629 0.230629 Ba\n0.000000 0.769371 0.769371 Ba\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"P",
"Au"
],
"chemical_system": "Au-Ba-P",
"density": 0.5578170261537125,
"density_atomic": 0.0026735300768707987,
"volume": 1496.1492427576322,
"volume_molar": 225.25053344634682,
"formula_full": "Ba2 P1 Au1",
"formula_reduced": "Ba2PAu",
"formula_anonymous": "ABC2",
"energy": -10.99172433,
"energy_per_atom": -2.7479310825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.99172433,
"band_gap": 0.8474999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.833000Z",
"spacegroup": 71
},
{
"id": "mp-1093555",
"created_at": "2022-09-04T14:47:01.653866Z",
"structure_string": "Na1 Sc1 Tl2\n1.0\n-6.039010 6.603276 9.372910\n6.039010 -6.603276 9.372910\n6.039010 6.603276 -9.372910\nNa Sc Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sc\n0.000000 0.254956 0.254956 Tl\n0.000000 0.745044 0.745044 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sc",
"Tl"
],
"chemical_system": "Na-Sc-Tl",
"density": 0.5294754169290262,
"density_atomic": 0.002675471655352933,
"volume": 1495.0634935701992,
"volume_molar": 225.08707008542737,
"formula_full": "Na1 Sc1 Tl2",
"formula_reduced": "NaScTl2",
"formula_anonymous": "ABC2",
"energy": -6.81452554,
"energy_per_atom": -1.703631385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.81452554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0280843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.215000Z",
"spacegroup": 71
},
{
"id": "mp-1095901",
"created_at": "2022-09-04T14:48:04.025214Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-6.171157 6.543149 9.253444\n6.171157 -6.543149 9.253444\n6.171157 6.543149 -9.253444\nSr Ca Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.000000 0.242091 0.242091 Ag\n0.000000 0.757909 0.757909 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Ag"
],
"chemical_system": "Ag-Ca-Sr",
"density": 0.38157164428836043,
"density_atomic": 0.0026763517605962062,
"volume": 1494.5718492209435,
"volume_molar": 225.01305129855047,
"formula_full": "Sr1 Ca1 Ag2",
"formula_reduced": "SrCaAg2",
"formula_anonymous": "ABC2",
"energy": -5.12442851,
"energy_per_atom": -1.2811071275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.12442851,
"band_gap": 0.0045999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.75e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.005000Z",
"spacegroup": 71
},
{
"id": "mp-1093620",
"created_at": "2022-09-04T14:48:06.153392Z",
"structure_string": "Ba1 Na1 Au2\n1.0\n-5.920229 6.661220 9.456765\n5.920229 -6.661220 9.456765\n5.920229 6.661220 -9.456765\nBa Na Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.241641 0.241641 Au\n0.000000 0.758359 0.758359 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Au"
],
"chemical_system": "Au-Ba-Na",
"density": 0.6169640446234154,
"density_atomic": 0.002681421700257037,
"volume": 1491.7459643205566,
"volume_molar": 224.58760438250823,
"formula_full": "Ba1 Na1 Au2",
"formula_reduced": "BaNaAu2",
"formula_anonymous": "ABC2",
"energy": -8.03401178,
"energy_per_atom": -2.008502945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.03401178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9850185,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.130000Z",
"spacegroup": 71
},
{
"id": "mp-1096268",
"created_at": "2022-09-04T14:44:57.463747Z",
"structure_string": "Ca2 In1 Ga1\n1.0\n-6.017857 6.704896 9.242423\n6.017857 -6.704896 9.242423\n6.017857 6.704896 -9.242423\nCa In Ga\n2 1 1\ndirect\n0.000000 0.245438 0.245438 Ca\n0.000000 0.754562 0.754562 Ca\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Ga"
],
"chemical_system": "Ca-Ga-In",
"density": 0.29465809365643636,
"density_atomic": 0.0026815151160542697,
"volume": 1491.693996446987,
"volume_molar": 224.5797804362674,
"formula_full": "Ca2 In1 Ga1",
"formula_reduced": "Ca2InGa",
"formula_anonymous": "ABC2",
"energy": -4.40527132,
"energy_per_atom": -1.10131783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.40527132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7400787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.503000Z",
"spacegroup": 71
},
{
"id": "mp-1097496",
"created_at": "2022-09-04T14:44:28.828505Z",
"structure_string": "Ca1 Y1 In2\n1.0\n-6.174010 6.499962 9.283527\n6.174010 -6.499962 9.283527\n6.174010 6.499962 -9.283527\nCa Y In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.254852 0.254852 In\n0.000000 0.745148 0.745148 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Y",
"In"
],
"chemical_system": "Ca-In-Y",
"density": 0.39960625686509416,
"density_atomic": 0.002684162773756046,
"volume": 1490.2225897435628,
"volume_molar": 224.3582549791867,
"formula_full": "Ca1 Y1 In2",
"formula_reduced": "CaYIn2",
"formula_anonymous": "ABC2",
"energy": -7.38766319,
"energy_per_atom": -1.8469157975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.38766319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.5409512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.039000Z",
"spacegroup": 71
},
{
"id": "mp-1096686",
"created_at": "2022-09-04T14:40:33.085423Z",
"structure_string": "Tl1 Bi1 Pb2\n1.0\n-6.153539 6.576067 9.204041\n6.153539 -6.576067 9.204041\n6.153539 6.576067 -9.204041\nTl Bi Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Bi\n0.000000 0.266767 0.266767 Pb\n0.000000 0.733233 0.733233 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"Pb"
],
"chemical_system": "Bi-Pb-Tl",
"density": 0.9226261339436784,
"density_atomic": 0.002684913314939297,
"volume": 1489.8060126348755,
"volume_molar": 224.29553782953897,
"formula_full": "Tl1 Bi1 Pb2",
"formula_reduced": "TlBiPb2",
"formula_anonymous": "ABC2",
"energy": -9.2100691,
"energy_per_atom": -2.302517275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.2100691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9634942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.910000Z",
"spacegroup": 71
},
{
"id": "mp-1096210",
"created_at": "2022-09-04T14:46:55.009337Z",
"structure_string": "Na1 Y1 Pb2\n1.0\n-6.102233 6.589807 9.260666\n6.102233 -6.589807 9.260666\n6.102233 6.589807 -9.260666\nNa Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.252654 0.252654 Pb\n0.000000 0.747346 0.747346 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Y",
"Pb"
],
"chemical_system": "Na-Pb-Y",
"density": 0.5866987443652953,
"density_atomic": 0.0026853215524291364,
"volume": 1489.5795240542452,
"volume_molar": 224.2614391767118,
"formula_full": "Na1 Y1 Pb2",
"formula_reduced": "NaYPb2",
"formula_anonymous": "ABC2",
"energy": -9.18464697,
"energy_per_atom": -2.2961617425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.18464697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.394000Z",
"spacegroup": 71
}
]
}