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=10167",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10165",
"results": [
{
"id": "mp-1026791",
"created_at": "2022-09-04T14:41:19.877775Z",
"structure_string": "Ce1 Mg14 Si1\n1.0\n6.507886 0.131293 0.000000\n-3.140240 5.439054 0.000000\n0.000000 0.000000 10.318708\nCe Mg Si\n1 14 1\ndirect\n0.151966 0.325982 0.125000 Ce\n0.165304 0.332652 0.625000 Mg\n0.160402 0.830200 0.625000 Mg\n0.647844 0.315119 0.125000 Mg\n0.665097 0.336535 0.625000 Mg\n0.647844 0.832723 0.125000 Mg\n0.665097 0.828560 0.625000 Mg\n0.337528 0.164802 0.378903 Mg\n0.337528 0.164802 0.871097 Mg\n0.337528 0.672728 0.378903 Mg\n0.337528 0.672728 0.871097 Mg\n0.831662 0.165832 0.384433 Mg\n0.831662 0.165832 0.865567 Mg\n0.847508 0.673755 0.359173 Mg\n0.847508 0.673755 0.890827 Mg\n0.187994 0.843996 0.125000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Si"
],
"chemical_system": "Ce-Mg-Si",
"density": 2.285060871304717,
"density_atomic": 0.043301410496110776,
"volume": 369.50297499978853,
"volume_molar": 13.907493291796799,
"formula_full": "Ce1 Mg14 Si1",
"formula_reduced": "CeMg14Si",
"formula_anonymous": "ABC14",
"energy": -33.519574490000004,
"energy_per_atom": -2.0949734056250002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.59057449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0225224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.520000Z",
"spacegroup": 38
},
{
"id": "mp-571335",
"created_at": "2022-09-04T14:41:03.190090Z",
"structure_string": "Th2 Bi4\n1.0\n4.558505 0.000000 0.000000\n0.000000 4.558505 0.000000\n0.000000 0.000000 9.390381\nTh Bi\n2 4\ndirect\n0.000000 0.500000 0.721620 Th\n0.500000 0.000000 0.278380 Th\n0.500000 0.500000 0.000000 Bi\n0.000000 0.500000 0.363589 Bi\n0.500000 0.000000 0.636411 Bi\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Bi"
],
"chemical_system": "Bi-Th",
"density": 11.062762876557564,
"density_atomic": 0.030748445586576162,
"volume": 195.1318151386299,
"volume_molar": 19.585187625318802,
"formula_full": "Th2 Bi4",
"formula_reduced": "ThBi2",
"formula_anonymous": "AB2",
"energy": -33.51928291,
"energy_per_atom": -5.586547151666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.51928291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.44e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.945000Z",
"spacegroup": 129
},
{
"id": "mp-1112853",
"created_at": "2022-09-04T14:42:06.156545Z",
"structure_string": "Cs2 K1 Sb1 Br6\n1.0\n0.000000 5.987786 5.987786\n5.987786 0.000000 5.987786\n5.987786 5.987786 0.000000\nCs K Sb 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 K\n0.000000 0.000000 0.000000 Sb\n0.764727 0.235273 0.235273 Br\n0.235273 0.235273 0.764727 Br\n0.235273 0.764727 0.764727 Br\n0.235273 0.764727 0.235273 Br\n0.764727 0.235273 0.764727 Br\n0.764727 0.764727 0.235273 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Sb",
"Br"
],
"chemical_system": "Br-Cs-K-Sb",
"density": 3.504234517636405,
"density_atomic": 0.02329009139462423,
"volume": 429.367142900443,
"volume_molar": 25.857093722655023,
"formula_full": "Cs2 K1 Sb1 Br6",
"formula_reduced": "Cs2KSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -33.51851568,
"energy_per_atom": -3.351851568,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.31451568,
"band_gap": 2.8501000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.837000Z",
"spacegroup": 225
},
{
"id": "mp-1211680",
"created_at": "2022-09-04T14:47:21.191169Z",
"structure_string": "K8 Al4 O2\n1.0\n0.000000 6.448615 6.448615\n6.448615 0.000000 6.448615\n6.448615 6.448615 0.000000\nK Al O\n8 4 2\ndirect\n0.378138 0.378138 0.378138 K\n0.378138 0.378138 0.865585 K\n0.378138 0.865585 0.378138 K\n0.871862 0.871862 0.384415 K\n0.871862 0.871862 0.871862 K\n0.865585 0.378138 0.378138 K\n0.871862 0.384415 0.871862 K\n0.384415 0.871862 0.871862 K\n0.125000 0.125000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.125000 0.625000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Al",
"O"
],
"chemical_system": "Al-K-O",
"density": 1.4016550352439499,
"density_atomic": 0.026103497021028946,
"volume": 536.3266074549941,
"volume_molar": 23.070245167337433,
"formula_full": "K8 Al4 O2",
"formula_reduced": "K4Al2O",
"formula_anonymous": "AB2C4",
"energy": -33.51769573,
"energy_per_atom": -2.3941211235714284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.14369573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7137734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.518000Z",
"spacegroup": 227
},
{
"id": "mp-34371",
"created_at": "2022-09-04T14:44:28.937047Z",
"structure_string": "Ag2 Sb2 S4\n1.0\n-2.746379 2.746379 5.714237\n2.746379 -2.746379 5.714237\n2.746379 2.746379 -5.714237\nAg Sb S\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.757805 0.757805 0.000000 S\n0.242195 0.242195 0.000000 S\n0.992195 0.492195 0.500000 S\n0.507805 0.007805 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-S-Sb",
"density": 5.658872539648768,
"density_atomic": 0.04640350735869211,
"volume": 172.40076139420253,
"volume_molar": 12.97777065308827,
"formula_full": "Ag2 Sb2 S4",
"formula_reduced": "AgSbS2",
"formula_anonymous": "ABC2",
"energy": -33.51750808,
"energy_per_atom": -4.18968851,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.50550808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.082000Z",
"spacegroup": 141
},
{
"id": "mp-1099102",
"created_at": "2022-09-04T14:47:08.288082Z",
"structure_string": "Ce1 Mg14 Co1\n1.0\n3.215324 -5.569105 0.000000\n3.215324 5.569105 0.000000\n0.000000 0.000000 10.069759\nCe Mg Co\n1 14 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.997419 0.498709 0.000000 Mg\n0.011382 0.505691 0.500000 Mg\n0.501291 0.002581 0.000000 Mg\n0.494309 0.988618 0.500000 Mg\n0.501291 0.498709 0.000000 Mg\n0.494309 0.505691 0.500000 Mg\n0.163755 0.836245 0.234525 Mg\n0.163755 0.836245 0.765475 Mg\n0.163755 0.327511 0.234525 Mg\n0.163755 0.327511 0.765475 Mg\n0.672489 0.836245 0.234525 Mg\n0.672489 0.836245 0.765475 Mg\n0.666667 0.333333 0.258231 Mg\n0.666667 0.333333 0.741769 Mg\n0.000000 0.000000 0.000000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Co"
],
"chemical_system": "Ce-Co-Mg",
"density": 2.4833375436759044,
"density_atomic": 0.04436707133415365,
"volume": 360.6278151536057,
"volume_molar": 13.573446655164215,
"formula_full": "Ce1 Mg14 Co1",
"formula_reduced": "CeMg14Co",
"formula_anonymous": "ABC14",
"energy": -33.51739158,
"energy_per_atom": -2.09483697375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.51739158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1948172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.070000Z",
"spacegroup": 187
},
{
"id": "mp-1182772",
"created_at": "2022-09-04T14:45:37.288793Z",
"structure_string": "Hg1 H3 I1 O6\n1.0\n12.350696 0.000000 0.000000\n5.821764 12.847438 0.000000\n2.697509 5.787997 13.048756\nHg H I O\n1 3 1 6\ndirect\n0.000387 0.999921 0.000280 Hg\n0.578562 0.129746 0.679944 H\n0.899447 0.310859 0.347471 H\n0.188623 0.615569 0.781469 H\n0.522702 0.522350 0.482951 I\n0.780128 0.426098 0.734854 O\n0.542672 0.889457 0.318377 O\n0.503264 0.128643 0.667184 O\n0.271550 0.578458 0.241124 O\n0.871041 0.340631 0.277022 O\n0.174344 0.663848 0.707664 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Hg",
"H",
"I",
"O"
],
"chemical_system": "H-Hg-I-O",
"density": 0.3420629353704222,
"density_atomic": 0.005312703909261542,
"volume": 2070.508763122277,
"volume_molar": 113.35359287578044,
"formula_full": "Hg1 H3 I1 O6",
"formula_reduced": "HgH3IO6",
"formula_anonymous": "ABC3D6",
"energy": -33.51654647,
"energy_per_atom": -3.0469587700000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.39454647,
"band_gap": 0.1723999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.063000Z",
"spacegroup": 1
},
{
"id": "mp-1080087",
"created_at": "2022-09-04T14:46:28.380124Z",
"structure_string": "Cs2 Yb2 S4\n1.0\n2.123238 -3.677557 0.000000\n2.123238 3.677557 0.000000\n0.000000 0.000000 15.719027\nCs Yb S\n2 2 4\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.909685 S\n0.666667 0.333333 0.090315 S\n0.666667 0.333333 0.409685 S\n0.333333 0.666667 0.590315 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Yb",
"S"
],
"chemical_system": "Cs-S-Yb",
"density": 5.006746750989193,
"density_atomic": 0.032589390665875996,
"volume": 245.47866150736948,
"volume_molar": 18.478838164672162,
"formula_full": "Cs2 Yb2 S4",
"formula_reduced": "CsYbS2",
"formula_anonymous": "ABC2",
"energy": -33.51583713,
"energy_per_atom": -4.18947964125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.50383713,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.831349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.650000Z",
"spacegroup": 194
},
{
"id": "mp-865931",
"created_at": "2022-09-04T14:46:36.105418Z",
"structure_string": "Ti2 Tc1 Pd1\n1.0\n0.000000 3.132056 3.132056\n3.132056 0.000000 3.132056\n3.132056 3.132056 0.000000\nTi Tc Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Pd"
],
"chemical_system": "Pd-Tc-Ti",
"density": 8.111005235213087,
"density_atomic": 0.06509407204092581,
"volume": 61.449527961396065,
"volume_molar": 9.251442675477074,
"formula_full": "Ti2 Tc1 Pd1",
"formula_reduced": "Ti2TcPd",
"formula_anonymous": "ABC2",
"energy": -33.51110304,
"energy_per_atom": -8.37777576,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.51110304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012692,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.761000Z",
"spacegroup": 225
},
{
"id": "mp-1187418",
"created_at": "2022-09-04T14:43:09.101875Z",
"structure_string": "Ti2 Al1 W1\n1.0\n0.000000 3.182232 3.182232\n3.182232 0.000000 3.182232\n3.182232 3.182232 0.000000\nTi Al W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"W"
],
"chemical_system": "Al-Ti-W",
"density": 7.898284132367295,
"density_atomic": 0.06206324510233805,
"volume": 64.45038433624077,
"volume_molar": 9.703232162723529,
"formula_full": "Ti2 Al1 W1",
"formula_reduced": "Ti2AlW",
"formula_anonymous": "ABC2",
"energy": -33.51068462,
"energy_per_atom": -8.377671155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.51068462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.915000Z",
"spacegroup": 225
},
{
"id": "mp-1185945",
"created_at": "2022-09-04T14:43:17.663914Z",
"structure_string": "Mg1 Pt5\n1.0\n1.405019 -7.206094 0.000000\n1.405019 7.206094 0.000000\n0.000000 0.000000 4.670215\nMg Pt\n1 5\ndirect\n0.784262 0.215738 0.500000 Mg\n0.991202 0.008798 0.000000 Pt\n0.326562 0.673438 0.000000 Pt\n0.659145 0.340855 0.000000 Pt\n0.448158 0.551842 0.500000 Pt\n0.123911 0.876089 0.500000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pt"
],
"chemical_system": "Mg-Pt",
"density": 17.55418454764601,
"density_atomic": 0.06344570975586702,
"volume": 94.56904214780513,
"volume_molar": 9.491801389207588,
"formula_full": "Mg1 Pt5",
"formula_reduced": "MgPt5",
"formula_anonymous": "AB5",
"energy": -33.50617982,
"energy_per_atom": -5.584363303333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.50617982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.251000Z",
"spacegroup": 38
},
{
"id": "mp-1028209",
"created_at": "2022-09-04T14:43:41.660921Z",
"structure_string": "Mg14 Ti1 Al1\n1.0\n6.309414 0.061467 0.000000\n-3.101475 5.371911 0.000000\n0.000000 0.000000 10.190354\nMg Ti Al\n14 1 1\ndirect\n0.166257 0.333128 0.625000 Mg\n0.167089 0.833544 0.625000 Mg\n0.664764 0.334449 0.125000 Mg\n0.664910 0.331232 0.625000 Mg\n0.664764 0.830314 0.125000 Mg\n0.664910 0.833677 0.625000 Mg\n0.331429 0.163181 0.367727 Mg\n0.331429 0.163181 0.882273 Mg\n0.331429 0.668248 0.367727 Mg\n0.331429 0.668248 0.882273 Mg\n0.836320 0.168160 0.370226 Mg\n0.836320 0.168160 0.879774 Mg\n0.839750 0.669875 0.372011 Mg\n0.839750 0.669875 0.877989 Mg\n0.160252 0.830126 0.125000 Ti\n0.169200 0.334600 0.125000 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Al"
],
"chemical_system": "Al-Mg-Ti",
"density": 1.9846239494523918,
"density_atomic": 0.0460656267434631,
"volume": 347.33056144233325,
"volume_molar": 13.072959570347248,
"formula_full": "Mg14 Ti1 Al1",
"formula_reduced": "Mg14TiAl",
"formula_anonymous": "ABC14",
"energy": -33.50617065,
"energy_per_atom": -2.094135665625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.50617065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002722,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.388000Z",
"spacegroup": 38
}
]
}