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=energy&page=10143",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10141",
"results": [
{
"id": "mp-569790",
"created_at": "2022-09-04T14:45:20.630430Z",
"structure_string": "Ba1 Ag2 Ge1 Se4\n1.0\n-3.564622 3.685043 4.244347\n3.564622 -3.685043 4.244347\n3.564622 3.685043 -4.244347\nBa Ag Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.707299 0.207299 0.500000 Ag\n0.292701 0.792701 0.500000 Ag\n0.500000 0.500000 0.000000 Ge\n0.147737 0.531123 0.002688 Se\n0.528435 0.145049 0.997312 Se\n0.471565 0.468877 0.616614 Se\n0.852263 0.854951 0.383386 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Ge",
"Se"
],
"chemical_system": "Ag-Ba-Ge-Se",
"density": 5.52152132974412,
"density_atomic": 0.03587261775216655,
"volume": 223.01132455037617,
"volume_molar": 16.78756984395511,
"formula_full": "Ba1 Ag2 Ge1 Se4",
"formula_reduced": "BaAg2GeSe4",
"formula_anonymous": "ABC2D4",
"energy": -33.80033929,
"energy_per_atom": -4.22504241125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.91233929,
"band_gap": 0.0350000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006092,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.672000Z",
"spacegroup": 23
},
{
"id": "mp-1100777",
"created_at": "2022-09-04T14:41:47.945994Z",
"structure_string": "V1 Te1 O3\n1.0\n3.928666 0.000000 0.000000\n0.000000 3.928666 0.000000\n0.000000 0.000000 3.928666\nV Te O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Te",
"O"
],
"chemical_system": "O-Te-V",
"density": 6.203804357410974,
"density_atomic": 0.08245835741095515,
"volume": 60.636667488791325,
"volume_molar": 7.303250936696342,
"formula_full": "V1 Te1 O3",
"formula_reduced": "VTeO3",
"formula_anonymous": "ABC3",
"energy": -33.80027007,
"energy_per_atom": -6.7600540140000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.03927007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8290088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.339000Z",
"spacegroup": 221
},
{
"id": "mp-1094375",
"created_at": "2022-09-04T14:39:26.185831Z",
"structure_string": "Y5 Mg1\n1.0\n1.795227 -9.296788 0.000000\n1.795227 9.296788 0.000000\n0.000000 0.000000 5.632970\nY Mg\n5 1\ndirect\n0.000007 0.999993 0.000000 Y\n0.330272 0.669728 0.000000 Y\n0.667680 0.332320 0.000000 Y\n0.113002 0.886998 0.500000 Y\n0.445204 0.554796 0.500000 Y\n0.777168 0.222832 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 4.140460973261851,
"density_atomic": 0.031910346312223906,
"volume": 188.02679047395915,
"volume_molar": 18.872063314753486,
"formula_full": "Y5 Mg1",
"formula_reduced": "Y5Mg",
"formula_anonymous": "AB5",
"energy": -33.79984613,
"energy_per_atom": -5.633307688333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.79984613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5301253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.308000Z",
"spacegroup": 38
},
{
"id": "mp-1017340",
"created_at": "2022-09-04T14:42:13.894893Z",
"structure_string": "Na2 Mg12 C2\n1.0\n3.688589 0.000000 0.000000\n0.000000 6.877240 0.000000\n0.000000 0.000000 14.579131\nNa Mg C\n2 12 2\ndirect\n0.000000 0.500000 0.314961 Na\n0.000000 0.000000 0.814961 Na\n0.000000 0.311788 0.107046 Mg\n0.000000 0.688212 0.107046 Mg\n0.000000 0.000000 0.321074 Mg\n0.500000 0.776874 0.454103 Mg\n0.500000 0.223126 0.454103 Mg\n0.500000 0.000000 0.161122 Mg\n0.000000 0.811788 0.607046 Mg\n0.000000 0.188212 0.607046 Mg\n0.000000 0.500000 0.821074 Mg\n0.500000 0.276874 0.954103 Mg\n0.500000 0.723126 0.954103 Mg\n0.500000 0.500000 0.661122 Mg\n0.500000 0.500000 0.080544 C\n0.500000 0.000000 0.580544 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"C"
],
"chemical_system": "C-Mg-Na",
"density": 1.6238451663688536,
"density_atomic": 0.043262727599545504,
"volume": 369.8333620594021,
"volume_molar": 13.919928525411018,
"formula_full": "Na2 Mg12 C2",
"formula_reduced": "NaMg6C",
"formula_anonymous": "ABC6",
"energy": -33.79757874,
"energy_per_atom": -2.11234867125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.79757874,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025743,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.294000Z",
"spacegroup": 38
},
{
"id": "mp-1112661",
"created_at": "2022-09-04T14:46:34.755685Z",
"structure_string": "Cs2 Na1 Bi1 Br6\n1.0\n0.000000 5.825071 5.825071\n5.825071 0.000000 5.825071\n5.825071 5.825071 0.000000\nCs Na Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.753440 0.246560 0.246560 Br\n0.246560 0.246560 0.753440 Br\n0.246560 0.753440 0.753440 Br\n0.246560 0.753440 0.246560 Br\n0.753440 0.246560 0.753440 Br\n0.753440 0.753440 0.246560 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-Cs-Na",
"density": 4.1048864214039185,
"density_atomic": 0.025296843541893998,
"volume": 395.3062358724337,
"volume_molar": 23.80589795729557,
"formula_full": "Cs2 Na1 Bi1 Br6",
"formula_reduced": "Cs2NaBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.79714412,
"energy_per_atom": -3.379714412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.59314412,
"band_gap": 3.1775,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.358000Z",
"spacegroup": 225
},
{
"id": "mp-21279",
"created_at": "2022-09-04T14:41:55.117096Z",
"structure_string": "Eu2 Si2\n1.0\n2.296608 -5.548892 0.000000\n2.296608 5.548892 0.000000\n0.000000 0.000000 3.973539\nEu Si\n2 2\ndirect\n0.140379 0.859621 0.250000 Eu\n0.859621 0.140379 0.750000 Eu\n0.434278 0.565722 0.250000 Si\n0.565722 0.434278 0.750000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Si"
],
"chemical_system": "Eu-Si",
"density": 5.904326860554806,
"density_atomic": 0.039496568954201554,
"volume": 101.27461969261735,
"volume_molar": 15.247250380110241,
"formula_full": "Eu2 Si2",
"formula_reduced": "EuSi",
"formula_anonymous": "AB",
"energy": -33.79626837,
"energy_per_atom": -8.4490670925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.93826837,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1441634,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.150000Z",
"spacegroup": 63
},
{
"id": "mp-1038799",
"created_at": "2022-09-04T14:41:30.640413Z",
"structure_string": "Mg6 Bi6\n1.0\n5.395907 0.000000 0.000000\n0.000000 10.320554 0.000000\n0.000000 0.000000 6.068876\nMg Bi\n6 6\ndirect\n0.000000 0.691649 0.323775 Mg\n0.000000 0.308351 0.323775 Mg\n0.500000 0.000000 0.011097 Mg\n-0.000000 0.191649 0.823775 Mg\n0.000000 0.808351 0.823775 Mg\n0.500000 0.500000 0.511097 Mg\n0.000000 0.000000 0.213856 Bi\n0.500000 0.842728 0.563748 Bi\n0.500000 0.157272 0.563748 Bi\n0.000000 0.500000 0.713856 Bi\n0.500000 0.342728 0.063748 Bi\n0.500000 0.657272 0.063748 Bi\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 6.877208274643414,
"density_atomic": 0.035506307964451866,
"volume": 337.96811575042204,
"volume_molar": 16.96076304534179,
"formula_full": "Mg6 Bi6",
"formula_reduced": "MgBi",
"formula_anonymous": "AB",
"energy": -33.79565796,
"energy_per_atom": -2.81630483,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.79565796,
"band_gap": 0.2695999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003159,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.304000Z",
"spacegroup": 38
},
{
"id": "mp-27882",
"created_at": "2022-09-04T14:46:17.822168Z",
"structure_string": "Cs2 Ge1 Cl6\n1.0\n0.000000 5.287151 5.287151\n5.287151 0.000000 5.287151\n5.287151 5.287151 0.000000\nCs Ge Cl\n2 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ge\n0.778828 0.221172 0.778828 Cl\n0.221172 0.221172 0.778828 Cl\n0.778828 0.778828 0.221172 Cl\n0.221172 0.778828 0.221172 Cl\n0.221172 0.778828 0.778828 Cl\n0.778828 0.221172 0.221172 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Cs",
"Ge",
"Cl"
],
"chemical_system": "Cl-Cs-Ge",
"density": 3.0962688761591215,
"density_atomic": 0.030447200835956995,
"volume": 295.59367537561417,
"volume_molar": 19.778963565307713,
"formula_full": "Cs2 Ge1 Cl6",
"formula_reduced": "Cs2GeCl6",
"formula_anonymous": "AB2C6",
"energy": -33.79132323,
"energy_per_atom": -3.7545914700000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.10732323,
"band_gap": 2.215,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005009,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.579000Z",
"spacegroup": 225
},
{
"id": "mp-1222960",
"created_at": "2022-09-04T14:40:02.015320Z",
"structure_string": "La1 Cu1 Ni4\n1.0\n2.509944 -4.347350 0.000000\n2.509944 4.347350 0.000000\n0.000000 0.000000 3.996904\nLa Cu Ni\n1 1 4\ndirect\n0.333333 0.666667 0.000000 La\n0.666667 0.333333 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.331237 0.165619 0.500000 Ni\n0.834381 0.165619 0.500000 Ni\n0.834381 0.668763 0.500000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Cu",
"Ni"
],
"chemical_system": "Cu-La-Ni",
"density": 8.323611517030683,
"density_atomic": 0.06878740078345238,
"volume": 87.22527572874029,
"volume_molar": 8.754714804471426,
"formula_full": "La1 Cu1 Ni4",
"formula_reduced": "LaCuNi4",
"formula_anonymous": "ABC4",
"energy": -33.79033399,
"energy_per_atom": -5.6317223316666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.79033399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4158687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.285000Z",
"spacegroup": 187
},
{
"id": "mp-1184295",
"created_at": "2022-09-04T14:47:44.887678Z",
"structure_string": "Eu3 Ag1\n1.0\n5.103738 0.000000 0.000000\n0.000000 5.103738 0.000000\n0.000000 0.000000 5.103738\nEu Ag\n3 1\ndirect\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Ag"
],
"chemical_system": "Ag-Eu",
"density": 7.041714201335223,
"density_atomic": 0.03008810776410706,
"volume": 132.94288997368292,
"volume_molar": 20.01501991156778,
"formula_full": "Eu3 Ag1",
"formula_reduced": "Eu3Ag",
"formula_anonymous": "AB3",
"energy": -33.79006215,
"energy_per_atom": -8.4475155375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.79006215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.5804951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.560000Z",
"spacegroup": 221
},
{
"id": "mp-1181874",
"created_at": "2022-09-04T14:44:27.645446Z",
"structure_string": "Cd1 Ga1 Cu3 Se4\n1.0\n5.903725 0.000000 0.000000\n0.000000 5.903725 0.000000\n0.000000 0.000000 5.903725\nCd Ga Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.240014 0.240014 0.240014 Se\n0.759986 0.759986 0.240014 Se\n0.240014 0.759986 0.759986 Se\n0.759986 0.240014 0.759986 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-Ga-Se",
"density": 5.557063065737977,
"density_atomic": 0.04373852678296711,
"volume": 205.76824740024915,
"volume_molar": 13.768503886475605,
"formula_full": "Cd1 Ga1 Cu3 Se4",
"formula_reduced": "CdGaCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -33.78909943,
"energy_per_atom": -3.7543443811111112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.90109943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.513000Z",
"spacegroup": 215
},
{
"id": "mp-864897",
"created_at": "2022-09-04T14:43:20.727973Z",
"structure_string": "Zr2 Cu1 Os1\n1.0\n0.000000 3.286055 3.286055\n3.286055 0.000000 3.286055\n3.286055 3.286055 0.000000\nZr Cu Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Os"
],
"chemical_system": "Cu-Os-Zr",
"density": 10.20714238888059,
"density_atomic": 0.05636448085794811,
"volume": 70.96667864432125,
"volume_molar": 10.684283201644714,
"formula_full": "Zr2 Cu1 Os1",
"formula_reduced": "Zr2CuOs",
"formula_anonymous": "ABC2",
"energy": -33.78827395,
"energy_per_atom": -8.4470684875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.78827395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.189000Z",
"spacegroup": 225
}
]
}