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=formation_energy_per_atom&page=12194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12192",
"results": [
{
"id": "mp-1197356",
"created_at": "2022-09-04T14:46:59.227209Z",
"structure_string": "Eu4 Ga32 Co8\n1.0\n0.000000 0.000000 4.050552\n12.547478 0.000000 0.000000\n0.000000 14.321462 0.000000\nEu Ga Co\n4 32 8\ndirect\n0.500000 0.157413 0.319375 Eu\n0.500000 0.842587 0.680625 Eu\n0.500000 0.657413 0.180625 Eu\n0.500000 0.342587 0.819375 Eu\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.661971 0.454744 Ga\n0.500000 0.338029 0.545256 Ga\n0.500000 0.161971 0.045256 Ga\n0.500000 0.838029 0.954744 Ga\n0.500000 0.402240 0.255005 Ga\n0.500000 0.597760 0.744995 Ga\n0.500000 0.902240 0.244995 Ga\n0.500000 0.097760 0.755005 Ga\n0.000000 0.550024 0.318795 Ga\n0.000000 0.449976 0.681205 Ga\n0.000000 0.050024 0.181205 Ga\n0.000000 0.949976 0.818795 Ga\n0.000000 0.336697 0.379684 Ga\n0.000000 0.663303 0.620316 Ga\n0.000000 0.836697 0.120316 Ga\n0.000000 0.163303 0.879684 Ga\n0.000000 0.170128 0.490406 Ga\n0.000000 0.829872 0.509594 Ga\n0.000000 0.670128 0.009594 Ga\n0.000000 0.329872 0.990406 Ga\n0.000000 0.761160 0.325674 Ga\n0.000000 0.238840 0.674326 Ga\n0.000000 0.261160 0.174326 Ga\n0.000000 0.738840 0.825674 Ga\n0.000000 0.976728 0.366532 Ga\n0.000000 0.023272 0.633468 Ga\n0.000000 0.476728 0.133468 Ga\n0.000000 0.523272 0.866532 Ga\n0.500000 0.848049 0.402777 Co\n0.500000 0.151951 0.597223 Co\n0.500000 0.348049 0.097223 Co\n0.500000 0.651951 0.902777 Co\n0.500000 0.466398 0.407000 Co\n0.500000 0.533602 0.593000 Co\n0.500000 0.966398 0.093000 Co\n0.500000 0.033602 0.907000 Co\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Eu",
"Ga",
"Co"
],
"chemical_system": "Co-Eu-Ga",
"density": 7.552297898767584,
"density_atomic": 0.060449771935336544,
"volume": 727.8770223825996,
"volume_molar": 9.962222465358376,
"formula_full": "Eu4 Ga32 Co8",
"formula_reduced": "Eu(Ga4Co)2",
"formula_anonymous": "AB2C8",
"energy": -211.19488757,
"energy_per_atom": -4.799883808409091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.19488757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.5730182,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.503000Z",
"spacegroup": 55
},
{
"id": "mp-1215753",
"created_at": "2022-09-04T14:46:59.231938Z",
"structure_string": "Y2 U2 B16\n1.0\n5.010545 -5.013064 0.000000\n5.010545 5.013064 0.000000\n0.000000 0.000000 3.981040\nY U B\n2 2 16\ndirect\n0.685675 0.314325 0.000000 Y\n0.314325 0.685675 0.000000 Y\n0.810890 0.810889 0.000000 U\n0.189110 0.189110 0.000000 U\n0.034611 0.678507 0.500000 B\n0.965389 0.321493 0.500000 B\n0.457926 0.176978 0.500000 B\n0.542074 0.823022 0.500000 B\n0.176978 0.457926 0.500000 B\n0.823022 0.542074 0.500000 B\n0.678507 0.034611 0.500000 B\n0.321493 0.965389 0.500000 B\n0.411365 0.411365 0.500000 B\n0.588635 0.588635 0.500000 B\n0.086341 0.913659 0.500000 B\n0.913659 0.086341 0.500000 B\n0.000000 0.500000 0.798910 B\n0.500000 0.000000 0.798910 B\n0.000000 0.500000 0.201090 B\n0.500000 0.000000 0.201090 B\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"U",
"B"
],
"chemical_system": "B-U-Y",
"density": 6.865287391392493,
"density_atomic": 0.100003509828792,
"volume": 199.99298058878531,
"volume_molar": 6.021929400588064,
"formula_full": "Y2 U2 B16",
"formula_reduced": "YUB8",
"formula_anonymous": "ABC8",
"energy": -152.90869852,
"energy_per_atom": -7.645434926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.90869852,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0059452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.786000Z",
"spacegroup": 65
},
{
"id": "mp-1191386",
"created_at": "2022-09-04T14:46:59.235262Z",
"structure_string": "Ba4 Co4 As8 O28\n1.0\n-0.089452 0.067672 -7.718307\n0.512839 -7.778466 1.705347\n-11.097890 0.111586 1.187461\nBa Co As O\n4 4 8 28\ndirect\n0.280243 0.928788 0.095650 Ba\n0.280220 0.928821 0.595644 Ba\n0.719761 0.071214 0.404342 Ba\n0.719787 0.071177 0.904353 Ba\n0.113217 0.397744 0.591590 Co\n0.886769 0.602218 0.908428 Co\n0.113172 0.397730 0.091550 Co\n0.886829 0.602293 0.408451 Co\n0.311573 0.606088 0.352921 As\n0.311529 0.606080 0.852948 As\n0.688419 0.393923 0.147085 As\n0.688477 0.393903 0.647043 As\n0.227987 0.210007 0.343413 As\n0.228043 0.210025 0.843423 As\n0.772029 0.790006 0.156577 As\n0.771943 0.789963 0.656582 As\n0.344025 0.053166 0.346221 O\n0.344103 0.053216 0.846212 O\n0.655994 0.946849 0.153754 O\n0.655891 0.946782 0.653788 O\n0.098780 0.200722 0.461106 O\n0.098819 0.200732 0.961105 O\n0.901276 0.799278 0.038909 O\n0.901198 0.799261 0.538908 O\n0.147366 0.589274 0.451824 O\n0.147314 0.589244 0.951854 O\n0.852616 0.410719 0.048171 O\n0.852686 0.410749 0.548134 O\n0.391122 0.412369 0.365163 O\n0.391141 0.412407 0.865172 O\n0.608887 0.587639 0.134829 O\n0.608864 0.587579 0.634830 O\n0.221498 0.607306 0.206574 O\n0.221523 0.607320 0.706590 O\n0.778504 0.392695 0.293422 O\n0.778472 0.392677 0.793404 O\n0.109234 0.203127 0.205203 O\n0.109311 0.203196 0.705207 O\n0.890739 0.796896 0.294805 O\n0.890660 0.796802 0.794809 O\n0.484670 0.767534 0.404754 O\n0.484588 0.767548 0.904819 O\n0.515308 0.232482 0.095256 O\n0.515411 0.232453 0.595178 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ba",
"Co",
"As",
"O"
],
"chemical_system": "As-Ba-Co-O",
"density": 4.573119328976316,
"density_atomic": 0.06612970615016749,
"volume": 665.3590732746445,
"volume_molar": 9.106559080006962,
"formula_full": "Ba4 Co4 As8 O28",
"formula_reduced": "BaCoAs2O7",
"formula_anonymous": "ABC2D7",
"energy": -302.46424033,
"energy_per_atom": -6.8741872802272725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.67624033,
"band_gap": 1.3273,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.577000Z",
"spacegroup": 2
},
{
"id": "mp-1195701",
"created_at": "2022-09-04T14:46:59.227350Z",
"structure_string": "Tl8 Ag8 P8 Se24\n1.0\n12.822082 0.000000 0.000000\n0.000000 9.842553 0.000000\n0.000000 1.297986 10.400869\nTl Ag P Se\n8 8 8 24\ndirect\n0.615725 0.381376 0.080488 Tl\n0.115725 0.118624 0.919512 Tl\n0.384275 0.618624 0.919512 Tl\n0.884275 0.881376 0.080488 Tl\n0.826889 0.394365 0.675766 Tl\n0.326889 0.105635 0.324234 Tl\n0.173111 0.605635 0.324234 Tl\n0.673111 0.894365 0.675766 Tl\n0.052403 0.211812 0.214858 Ag\n0.552403 0.288188 0.785142 Ag\n0.947597 0.788188 0.785142 Ag\n0.447597 0.711812 0.214858 Ag\n0.815342 0.236689 0.325509 Ag\n0.315342 0.263311 0.674491 Ag\n0.184658 0.763311 0.674491 Ag\n0.684658 0.736689 0.325509 Ag\n0.523146 0.415550 0.434875 P\n0.023146 0.084450 0.565125 P\n0.476854 0.584450 0.565125 P\n0.976854 0.915550 0.434875 P\n0.918298 0.495548 0.046679 P\n0.418298 0.004452 0.953321 P\n0.081702 0.504452 0.953321 P\n0.581702 0.995548 0.046679 P\n0.572758 0.087605 0.228128 Se\n0.072758 0.412395 0.771872 Se\n0.427242 0.912395 0.771872 Se\n0.927242 0.587605 0.228128 Se\n0.186148 0.396131 0.101448 Se\n0.686148 0.103869 0.898552 Se\n0.813852 0.603869 0.898552 Se\n0.313852 0.896131 0.101448 Se\n0.088689 0.946680 0.270699 Se\n0.588689 0.553320 0.729301 Se\n0.911311 0.053320 0.729301 Se\n0.411311 0.446680 0.270699 Se\n0.691817 0.457008 0.376270 Se\n0.191817 0.042992 0.623730 Se\n0.308183 0.542992 0.623730 Se\n0.808183 0.957008 0.376270 Se\n0.499093 0.211433 0.547515 Se\n0.999093 0.288567 0.452485 Se\n0.500907 0.788567 0.452485 Se\n0.000907 0.711433 0.547515 Se\n0.875457 0.274662 0.071712 Se\n0.375457 0.225338 0.928288 Se\n0.124543 0.725338 0.928288 Se\n0.624543 0.774662 0.071712 Se\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Tl",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-P-Se-Tl",
"density": 5.870971212577207,
"density_atomic": 0.03656834443842646,
"volume": 1312.610694772417,
"volume_molar": 16.468179931251857,
"formula_full": "Tl8 Ag8 P8 Se24",
"formula_reduced": "TlAgPSe3",
"formula_anonymous": "ABCD3",
"energy": -191.11733166,
"energy_per_atom": -3.9816110762499997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.78933166,
"band_gap": 1.2990999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001055,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.098000Z",
"spacegroup": 14
},
{
"id": "mp-555538",
"created_at": "2022-09-04T14:46:59.248746Z",
"structure_string": "Al2 P2 S8\n1.0\n6.444682 0.000000 0.000000\n0.000000 6.444682 0.000000\n0.000000 0.000000 9.057946\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 P\n0.500000 0.000000 0.500000 P\n0.731177 0.237410 0.500000 S\n0.762590 0.268823 0.000000 S\n0.731177 0.762590 0.500000 S\n0.237410 0.731177 0.000000 S\n0.268823 0.762590 0.500000 S\n0.237410 0.268823 0.000000 S\n0.762590 0.731177 0.000000 S\n0.268823 0.237410 0.500000 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"P",
"S"
],
"chemical_system": "Al-P-S",
"density": 1.6438483219535531,
"density_atomic": 0.031896904135433266,
"volume": 376.2120596108128,
"volume_molar": 18.88001648821521,
"formula_full": "Al2 P2 S8",
"formula_reduced": "AlPS4",
"formula_anonymous": "ABC4",
"energy": -55.90604127,
"energy_per_atom": -4.6588367725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.88204127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.630000Z",
"spacegroup": 131
},
{
"id": "mp-850068",
"created_at": "2022-09-04T14:46:59.253911Z",
"structure_string": "Ni4 S8\n1.0\n4.489291 0.000000 0.000000\n0.000000 6.179521 0.000000\n0.000000 0.000000 6.556756\nNi S\n4 8\ndirect\n0.000000 0.750000 0.359577 Ni\n0.000000 0.250000 0.640423 Ni\n0.500000 0.250000 0.140423 Ni\n0.500000 0.750000 0.859577 Ni\n0.308742 0.454799 0.412210 S\n0.691258 0.045201 0.412210 S\n0.808742 0.545201 0.087790 S\n0.808742 0.045201 0.912210 S\n0.691258 0.545201 0.587790 S\n0.308742 0.954799 0.587790 S\n0.191258 0.454799 0.912210 S\n0.191258 0.954799 0.087790 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 4.485063659786453,
"density_atomic": 0.0659720004969625,
"volume": 181.895348172025,
"volume_molar": 9.12832825234286,
"formula_full": "Ni4 S8",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy": -62.15539795000001,
"energy_per_atom": -5.179616495833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.13139795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.836000Z",
"spacegroup": 60
},
{
"id": "mp-1102195",
"created_at": "2022-09-04T14:46:59.260319Z",
"structure_string": "Ti4 Si4 Pt4\n1.0\n3.823072 0.000000 0.000000\n0.000000 6.371220 0.000000\n0.000000 0.000000 7.397893\nTi Si Pt\n4 4 4\ndirect\n0.250000 0.026899 0.325453 Ti\n0.250000 0.526899 0.174547 Ti\n0.750000 0.973101 0.674547 Ti\n0.750000 0.473101 0.825453 Ti\n0.250000 0.257513 0.624311 Si\n0.250000 0.757513 0.875689 Si\n0.750000 0.742487 0.375689 Si\n0.750000 0.242487 0.124311 Si\n0.250000 0.148824 0.935383 Pt\n0.250000 0.648824 0.564617 Pt\n0.750000 0.851176 0.064617 Pt\n0.750000 0.351176 0.435383 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Ti",
"density": 9.99065000375741,
"density_atomic": 0.06659446306380885,
"volume": 180.195161097732,
"volume_molar": 9.043005203345153,
"formula_full": "Ti4 Si4 Pt4",
"formula_reduced": "TiSiPt",
"formula_anonymous": "ABC",
"energy": -89.37073633,
"energy_per_atom": -7.447561360833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.65473633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001597,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.240000Z",
"spacegroup": 62
},
{
"id": "mp-1183540",
"created_at": "2022-09-04T14:46:59.264090Z",
"structure_string": "Ca1 Zn1 O3\n1.0\n3.876625 0.000000 0.000000\n0.000000 3.876625 0.000000\n0.000000 0.000000 3.876625\nCa Zn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\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": [
"Ca",
"Zn",
"O"
],
"chemical_system": "Ca-O-Zn",
"density": 4.374759928378614,
"density_atomic": 0.08582397550059531,
"volume": 58.258778748431645,
"volume_molar": 7.0168513225750395,
"formula_full": "Ca1 Zn1 O3",
"formula_reduced": "CaZnO3",
"formula_anonymous": "ABC3",
"energy": -27.1198669,
"energy_per_atom": -5.4239733800000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.0588669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0813118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.789000Z",
"spacegroup": 221
},
{
"id": "mp-685607",
"created_at": "2022-09-04T14:46:59.288262Z",
"structure_string": "Cs4 Ta4 Se12\n1.0\n6.189068 0.000000 0.000000\n0.000000 7.760133 0.000000\n0.000000 0.000000 13.440371\nCs Ta Se\n4 4 12\ndirect\n0.751777 0.250000 0.916495 Cs\n0.248223 0.750000 0.083505 Cs\n0.748223 0.750000 0.416495 Cs\n0.251777 0.250000 0.583505 Cs\n0.459295 0.750000 0.752297 Ta\n0.040705 0.250000 0.252297 Ta\n0.540705 0.250000 0.247703 Ta\n0.959295 0.750000 0.747703 Ta\n0.250039 0.989124 0.827422 Se\n0.252878 0.250000 0.091035 Se\n0.249961 0.489124 0.327422 Se\n0.749961 0.489124 0.172578 Se\n0.250039 0.510876 0.827422 Se\n0.247122 0.750000 0.591035 Se\n0.747122 0.750000 0.908965 Se\n0.750039 0.989124 0.672578 Se\n0.249961 0.010876 0.327422 Se\n0.749961 0.010876 0.172578 Se\n0.752878 0.250000 0.408965 Se\n0.750039 0.510876 0.672578 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cs",
"Ta",
"Se"
],
"chemical_system": "Cs-Se-Ta",
"density": 5.666889898748403,
"density_atomic": 0.03098306083612453,
"volume": 645.5140150866279,
"volume_molar": 19.436881307022183,
"formula_full": "Cs4 Ta4 Se12",
"formula_reduced": "CsTaSe3",
"formula_anonymous": "ABC3",
"energy": -118.18486084,
"energy_per_atom": -5.909243042,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.52086084,
"band_gap": 0.0868000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005243,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.850000Z",
"spacegroup": 62
},
{
"id": "mp-2672",
"created_at": "2022-09-04T14:46:59.288234Z",
"structure_string": "K4 O4\n1.0\n3.413281 -3.531743 0.000000\n3.413281 3.531743 0.000000\n0.000000 0.000000 6.565060\nK O\n4 4\ndirect\n0.908996 0.591004 0.750000 K\n0.591004 0.908996 0.250000 K\n0.091004 0.408996 0.250000 K\n0.408996 0.091004 0.750000 K\n0.586880 0.413120 0.430901 O\n0.913120 0.086880 0.930901 O\n0.413120 0.586880 0.569099 O\n0.086880 0.913120 0.069099 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"O"
],
"chemical_system": "K-O",
"density": 2.312132547633942,
"density_atomic": 0.05054289983952446,
"volume": 158.28138127017425,
"volume_molar": 11.91490947120271,
"formula_full": "K4 O4",
"formula_reduced": "KO",
"formula_anonymous": "AB",
"energy": -34.59699374,
"energy_per_atom": -4.3246242175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.73699374,
"band_gap": 2.3575,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005428,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.758000Z",
"spacegroup": 64
},
{
"id": "mp-542942",
"created_at": "2022-09-04T14:46:59.297220Z",
"structure_string": "Zn1 Cd1 C4 Se4 N4\n1.0\n-5.711611 5.711611 2.493475\n5.711611 -5.711611 2.493475\n5.711611 5.711611 -2.493475\nZn Cd C Se N\n1 1 4 4 4\ndirect\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Cd\n0.112710 0.326179 0.646992 C\n0.534282 0.887290 0.213469 C\n0.673821 0.320814 0.786531 C\n0.679186 0.465718 0.353008 C\n0.031597 0.078495 0.727867 Se\n0.696270 0.968403 0.046898 Se\n0.921505 0.649372 0.953102 Se\n0.350628 0.303730 0.272133 Se\n0.159046 0.480165 0.590115 N\n0.431069 0.840954 0.321119 N\n0.519835 0.109950 0.678881 N\n0.890050 0.568931 0.409885 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Zn",
"Cd",
"C",
"Se",
"N"
],
"chemical_system": "C-Cd-N-Se-Zn",
"density": 3.0505040656287896,
"density_atomic": 0.04302746731954425,
"volume": 325.3735548975902,
"volume_molar": 13.996038194106257,
"formula_full": "Zn1 Cd1 C4 Se4 N4",
"formula_reduced": "ZnCdC4(SeN)4",
"formula_anonymous": "ABC4D4E4",
"energy": -87.62286976,
"energy_per_atom": -6.258776411428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.29086976,
"band_gap": 3.0605,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002905,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.177000Z",
"spacegroup": 82
},
{
"id": "mp-1212038",
"created_at": "2022-09-04T14:46:59.301294Z",
"structure_string": "In1 Fe1 Cu2 Se4\n1.0\n-2.861550 2.861550 5.691273\n2.861550 -2.861550 5.691273\n2.861550 2.861550 -5.691273\nIn Fe Cu Se\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Fe\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.099389 0.099389 0.464179 Se\n0.635210 0.635210 0.535821 Se\n0.900611 0.364790 0.000000 Se\n0.364790 0.900611 0.000000 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Fe",
"Cu",
"Se"
],
"chemical_system": "Cu-Fe-In-Se",
"density": 5.465864008954997,
"density_atomic": 0.04291586789112692,
"volume": 186.41123652200548,
"volume_molar": 14.032433819764623,
"formula_full": "In1 Fe1 Cu2 Se4",
"formula_reduced": "InFe(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy": -37.65514854,
"energy_per_atom": -4.7068935675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.76714854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2936255,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.193000Z",
"spacegroup": 121
}
]
}