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=-band_gap&page=10407",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=10405",
"results": [
{
"id": "mp-1174814",
"created_at": "2022-09-04T14:42:40.213357Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.465721 9.767354 0.000000\n-1.465721 9.767354 0.000000\n0.000000 4.097644 8.883240\nLi Mn Co O\n8 2 4 14\ndirect\n0.360138 0.360138 0.074336 Li\n0.060343 0.060343 0.231023 Li\n0.797796 0.797796 0.356456 Li\n0.493731 0.493731 0.504795 Li\n0.221555 0.221555 0.636290 Li\n0.927745 0.927745 0.778660 Li\n0.642511 0.642511 0.921275 Li\n0.426526 0.426526 0.286646 Li\n0.995926 0.995926 0.010877 Mn\n0.714780 0.714780 0.139330 Mn\n0.142110 0.142110 0.432181 Co\n0.864213 0.864213 0.547495 Co\n0.571753 0.571753 0.716493 Co\n0.289922 0.289922 0.841255 Co\n0.470275 0.470275 0.902641 O\n0.183376 0.183376 0.046612 O\n0.901393 0.901393 0.162495 O\n0.616211 0.616211 0.317008 O\n0.322940 0.322940 0.467972 O\n0.040865 0.040865 0.613095 O\n0.751358 0.751358 0.755710 O\n0.243770 0.243770 0.238580 O\n0.960723 0.960723 0.407524 O\n0.672738 0.672738 0.530985 O\n0.386771 0.386771 0.688522 O\n0.098405 0.098405 0.825362 O\n0.809863 0.809863 0.972305 O\n0.532264 0.532264 0.094077 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.0812081567010905,
"density_atomic": 0.1100850645903574,
"volume": 254.34876296972791,
"volume_molar": 5.470443045484204,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.35676683,
"energy_per_atom": -6.5127416725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.85076683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9991113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.681000Z",
"spacegroup": 8
},
{
"id": "mp-1247439",
"created_at": "2022-09-04T14:42:27.533289Z",
"structure_string": "Sr6 Re6 N10\n1.0\n6.054733 0.035946 0.007044\n-0.640293 7.061110 0.012657\n-2.113272 -2.889426 8.440545\nSr Re N\n6 6 10\ndirect\n0.811683 0.429453 0.616867 Sr\n0.188317 0.570547 0.383133 Sr\n0.641625 0.868012 0.883449 Sr\n0.358375 0.131988 0.116551 Sr\n0.660995 0.652852 0.203418 Sr\n0.339005 0.347148 0.796582 Sr\n0.900407 0.315683 0.970249 Re\n0.099593 0.684317 0.029751 Re\n0.681372 0.929568 0.563694 Re\n0.318628 0.070432 0.436306 Re\n0.104915 0.890949 0.694036 Re\n0.895085 0.109051 0.305964 Re\n0.904964 0.109686 0.778707 N\n0.095036 0.890314 0.221293 N\n0.869918 0.719893 0.496263 N\n0.130082 0.280107 0.503737 N\n0.756470 0.541517 0.921015 N\n0.243530 0.458483 0.078985 N\n0.373292 0.944580 0.618839 N\n0.626708 0.055420 0.381161 N\n0.157750 0.777470 0.862491 N\n0.842250 0.222530 0.137509 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Re",
"N"
],
"chemical_system": "N-Re-Sr",
"density": 8.192721546586245,
"density_atomic": 0.06087561628653831,
"volume": 361.3926452333092,
"volume_molar": 9.892533541926051,
"formula_full": "Sr6 Re6 N10",
"formula_reduced": "Sr3Re3N5",
"formula_anonymous": "A3B3C5",
"energy": -178.53129626,
"energy_per_atom": -8.11505892090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.92129626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.437000Z",
"spacegroup": 2
},
{
"id": "mp-1207274",
"created_at": "2022-09-04T14:42:40.220427Z",
"structure_string": "Li2 Ga2 Ir2\n1.0\n-2.038176 -3.530224 0.000000\n-2.038176 3.530224 0.000000\n0.000000 0.000000 -5.515141\nLi Ga Ir\n2 2 2\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Li",
"density": 11.251453910891955,
"density_atomic": 0.07559980723382409,
"volume": 79.36528173203519,
"volume_molar": 7.965814967456208,
"formula_full": "Li2 Ga2 Ir2",
"formula_reduced": "LiGaIr",
"formula_anonymous": "ABC",
"energy": -30.16560851,
"energy_per_atom": -5.027601418333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.16560851,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.409000Z",
"spacegroup": 194
},
{
"id": "mp-1298652",
"created_at": "2022-09-04T14:42:27.555725Z",
"structure_string": "Li6 Co8 O16\n1.0\n2.807182 5.009595 0.026171\n-2.852531 -1.593095 9.808902\n5.707775 -0.053745 -0.008064\nLi Co O\n6 8 16\ndirect\n0.512361 0.006549 0.996104 Li\n0.987637 0.493451 0.503896 Li\n0.997109 0.004927 0.502669 Li\n0.502890 0.495073 0.997330 Li\n0.510473 0.001651 0.497260 Li\n0.989528 0.498349 0.002739 Li\n0.250000 0.749999 0.749998 Co\n0.750000 0.750000 0.750001 Co\n0.749999 0.749999 0.249999 Co\n0.750001 0.250001 0.749999 Co\n0.250002 0.749999 0.250003 Co\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.249999 0.250000 0.750000 Co\n0.374200 0.134284 0.376869 O\n0.860597 0.638695 0.888815 O\n0.125800 0.365717 0.123131 O\n0.639401 0.861305 0.611186 O\n0.876678 0.140983 0.392343 O\n0.364783 0.647398 0.897401 O\n0.101253 0.358815 0.632188 O\n0.595638 0.854820 0.138257 O\n0.876391 0.139590 0.874762 O\n0.386281 0.650609 0.381024 O\n0.623608 0.360411 0.625239 O\n0.113719 0.849392 0.118977 O\n0.398748 0.141186 0.867812 O\n0.904362 0.645179 0.361744 O\n0.623324 0.359017 0.107656 O\n0.135216 0.852600 0.602600 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.526963063999009,
"density_atomic": 0.10633964109054184,
"volume": 282.1149262151148,
"volume_molar": 5.663119320548118,
"formula_full": "Li6 Co8 O16",
"formula_reduced": "Li3(CoO2)4",
"formula_anonymous": "A3B4C8",
"energy": -193.25962441,
"energy_per_atom": -6.441987480333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.16362441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5834115,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.392000Z",
"spacegroup": 2
},
{
"id": "mp-1181019",
"created_at": "2022-09-04T14:42:40.317045Z",
"structure_string": "Mo16\n1.0\n9.977238 0.000000 -1.359100\n0.000000 5.193482 0.000000\n0.000242 0.000000 5.039277\nMo\n16\ndirect\n0.562674 0.517640 0.978099 Mo\n0.437326 0.017640 0.021901 Mo\n0.562032 0.265783 0.479234 Mo\n0.437968 0.765783 0.520766 Mo\n0.808219 0.291268 0.366545 Mo\n0.191781 0.791268 0.633455 Mo\n0.809040 0.472261 0.864110 Mo\n0.190960 0.972261 0.135890 Mo\n0.686775 0.775506 0.428418 Mo\n0.313225 0.275506 0.571582 Mo\n0.935572 0.831401 0.317134 Mo\n0.064428 0.331401 0.682866 Mo\n0.936123 0.927469 0.816913 Mo\n0.063877 0.427469 0.183087 Mo\n0.688477 0.998674 0.925124 Mo\n0.311523 0.498674 0.074876 Mo\n",
"nsites": 16,
"nelements": 1,
"elements": [
"Mo"
],
"chemical_system": "Mo",
"density": 9.761774227467827,
"density_atomic": 0.06127452416663223,
"volume": 261.1199387936331,
"volume_molar": 9.82813141661152,
"formula_full": "Mo16",
"formula_reduced": "Mo",
"formula_anonymous": "A",
"energy": -168.21900165,
"energy_per_atom": -10.513687603125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.21900165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.254000Z",
"spacegroup": 4
},
{
"id": "mp-1280283",
"created_at": "2022-09-04T14:42:40.402364Z",
"structure_string": "Fe1 Re1 Pb2 O6\n1.0\n-5.684591 -0.007681 0.000200\n0.007668 5.688109 -0.000663\n-2.838336 2.840693 -4.029065\nFe Re Pb O\n1 1 2 6\ndirect\n0.510083 0.509815 0.979968 Fe\n0.004278 0.004428 0.991336 Re\n0.277154 0.777854 0.445342 Pb\n0.777889 0.276958 0.445178 Pb\n0.250923 0.229104 0.009666 O\n0.739186 0.761161 0.009952 O\n0.761079 0.250564 0.010208 O\n0.228748 0.739376 0.009868 O\n0.758662 0.758560 0.483615 O\n0.243998 0.244179 0.510866 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Fe",
"Re",
"Pb",
"O"
],
"chemical_system": "Fe-O-Pb-Re",
"density": 9.59135940826608,
"density_atomic": 0.07676342518143363,
"volume": 130.2703725942996,
"volume_molar": 7.845065206205185,
"formula_full": "Fe1 Re1 Pb2 O6",
"formula_reduced": "FeRe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy": -74.76347842,
"energy_per_atom": -7.476347842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.38547842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0006732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.887000Z",
"spacegroup": 79
},
{
"id": "mp-772702",
"created_at": "2022-09-04T14:42:40.221649Z",
"structure_string": "Li6 Fe3 Co3 O16\n1.0\n5.720942 0.000000 0.000000\n-2.838187 5.000782 0.000000\n-0.052688 -0.101471 9.837317\nLi Fe Co O\n6 3 3 16\ndirect\n0.334763 0.672024 0.498379 Li\n0.328758 0.661728 0.111085 Li\n0.015251 0.012288 0.999753 Li\n0.012661 0.007060 0.501306 Li\n0.666881 0.332545 0.000358 Li\n0.661530 0.327996 0.610266 Li\n0.662902 0.830039 0.785173 Fe\n0.829365 0.167713 0.285470 Fe\n0.829467 0.662401 0.284256 Fe\n0.166992 0.333858 0.786276 Co\n0.170154 0.830953 0.784094 Co\n0.335672 0.167777 0.285576 Co\n0.157348 0.311022 0.387319 O\n0.028295 0.511913 0.684483 O\n0.309335 0.658530 0.894159 O\n0.020953 0.006113 0.683675 O\n0.006398 0.020518 0.182985 O\n0.160574 0.850615 0.384298 O\n0.476063 0.513487 0.680182 O\n0.472438 0.962493 0.680202 O\n0.314683 0.157726 0.884830 O\n0.691650 0.850214 0.389315 O\n0.512469 0.030501 0.180167 O\n0.508458 0.476635 0.181933 O\n0.660374 0.312448 0.396118 O\n0.849503 0.158154 0.884870 O\n0.964583 0.477242 0.178583 O\n0.852479 0.695705 0.887047 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 3.787759214240175,
"density_atomic": 0.09948919054475266,
"volume": 281.43760992210423,
"volume_molar": 6.053060364674586,
"formula_full": "Li6 Fe3 Co3 O16",
"formula_reduced": "Li6Fe3Co3O16",
"formula_anonymous": "A3B3C6D16",
"energy": -179.855704,
"energy_per_atom": -6.423418,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.181704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1382447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.124000Z",
"spacegroup": 1
},
{
"id": "mp-866117",
"created_at": "2022-09-04T14:42:40.259250Z",
"structure_string": "Hf1 Zn1 Au2\n1.0\n0.000000 3.298946 3.298946\n3.298946 0.000000 3.298946\n3.298946 3.298946 0.000000\nHf Zn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"Au"
],
"chemical_system": "Au-Hf-Zn",
"density": 14.750266930471646,
"density_atomic": 0.05570630793995553,
"volume": 71.80515363379499,
"volume_molar": 10.810518561903473,
"formula_full": "Hf1 Zn1 Au2",
"formula_reduced": "HfZnAu2",
"formula_anonymous": "ABC2",
"energy": -19.5223994,
"energy_per_atom": -4.88059985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.5223994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.553000Z",
"spacegroup": 225
},
{
"id": "mp-756779",
"created_at": "2022-09-04T14:42:27.549451Z",
"structure_string": "Fe8 O12 F4\n1.0\n3.008457 -6.908212 0.000000\n3.008457 6.908212 0.000000\n0.000000 0.000000 6.390592\nFe O F\n8 12 4\ndirect\n0.372919 0.124425 0.750000 Fe\n0.875575 0.627081 0.750000 Fe\n0.613982 0.386018 0.250000 Fe\n0.127613 0.872387 0.250000 Fe\n0.872387 0.127613 0.750000 Fe\n0.386018 0.613982 0.750000 Fe\n0.124425 0.372919 0.250000 Fe\n0.627081 0.875575 0.250000 Fe\n0.534460 0.465540 0.750000 O\n0.375204 0.125895 0.444617 O\n0.874105 0.624796 0.444617 O\n0.375204 0.125895 0.055383 O\n0.125895 0.375204 0.555383 O\n0.624796 0.874105 0.555383 O\n0.874105 0.624796 0.055383 O\n0.210945 0.789055 0.750000 O\n0.465540 0.534460 0.250000 O\n0.789055 0.210945 0.250000 O\n0.125895 0.375204 0.944617 O\n0.624796 0.874105 0.944617 O\n0.021826 0.978174 0.750000 F\n0.724806 0.275194 0.750000 F\n0.978174 0.021826 0.250000 F\n0.275194 0.724806 0.250000 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.468075772152182,
"density_atomic": 0.09035052685654753,
"volume": 265.6320979522962,
"volume_molar": 6.665307851011814,
"formula_full": "Fe8 O12 F4",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy": -161.84469441,
"energy_per_atom": -6.7435289337499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.70469441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1152034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.722000Z",
"spacegroup": 63
},
{
"id": "mp-759736",
"created_at": "2022-09-04T14:42:27.522234Z",
"structure_string": "Mn13 Cu11 O32\n1.0\n2.959007 5.257136 0.000000\n-2.959007 5.257136 0.000000\n0.000000 2.546405 19.516907\nMn Cu O\n13 11 32\ndirect\n0.625523 0.125930 0.624311 Mn\n0.750879 0.750879 0.750551 Mn\n0.125930 0.625523 0.624311 Mn\n0.375097 0.375097 0.375725 Mn\n0.624903 0.624903 0.624275 Mn\n0.874070 0.374477 0.375689 Mn\n0.374477 0.874070 0.375689 Mn\n0.249121 0.249121 0.249449 Mn\n0.625374 0.126032 0.124396 Mn\n0.126032 0.625374 0.124396 Mn\n0.000000 0.000000 0.000000 Mn\n0.873968 0.374626 0.875604 Mn\n0.374626 0.873968 0.875604 Mn\n0.097063 0.097063 0.719100 Cu\n0.151163 0.151163 0.533577 Cu\n0.399149 0.399149 0.783334 Cu\n0.848837 0.848837 0.466423 Cu\n0.500000 0.500000 0.500000 Cu\n0.902937 0.902937 0.280900 Cu\n0.124956 0.124956 0.124287 Cu\n0.600851 0.600851 0.216666 Cu\n0.349423 0.349423 0.967437 Cu\n0.650577 0.650577 0.032563 Cu\n0.875044 0.875044 0.875713 Cu\n0.778373 0.318557 0.569113 O\n0.318754 0.318754 0.568381 O\n0.476908 0.928477 0.682574 O\n0.930220 0.930220 0.681595 O\n0.928477 0.476908 0.682574 O\n0.818283 0.818283 0.567946 O\n0.681443 0.221627 0.430887 O\n0.181717 0.181717 0.432054 O\n0.318557 0.778373 0.569113 O\n0.432542 0.432542 0.680709 O\n0.069780 0.069780 0.318405 O\n0.523092 0.071523 0.317426 O\n0.221627 0.681443 0.430887 O\n0.681246 0.681246 0.431619 O\n0.315365 0.315365 0.069379 O\n0.567458 0.567458 0.319291 O\n0.435569 0.976870 0.183411 O\n0.071523 0.523092 0.317426 O\n0.814660 0.275448 0.065984 O\n0.934514 0.934514 0.179843 O\n0.275448 0.814660 0.065984 O\n0.819600 0.819600 0.067390 O\n0.180400 0.180400 0.932610 O\n0.431534 0.431534 0.180876 O\n0.724552 0.185340 0.934016 O\n0.976870 0.435569 0.183411 O\n0.065486 0.065486 0.820157 O\n0.185340 0.724552 0.934016 O\n0.684635 0.684635 0.930621 O\n0.564431 0.023130 0.816589 O\n0.568466 0.568466 0.819124 O\n0.023130 0.564431 0.816589 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O",
"density": 5.264832492833221,
"density_atomic": 0.09222567317700955,
"volume": 607.2061940119288,
"volume_molar": 6.5297878047923295,
"formula_full": "Mn13 Cu11 O32",
"formula_reduced": "Mn13Cu11O32",
"formula_anonymous": "A11B13C32",
"energy": -408.11556117,
"energy_per_atom": -7.287777878035714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -364.44756117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 43.6473934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.095000Z",
"spacegroup": 12
},
{
"id": "mp-1228403",
"created_at": "2022-09-04T14:42:38.223211Z",
"structure_string": "Ba2 Ga7 Ag1\n1.0\n4.619705 0.000000 0.000000\n0.000000 4.619705 0.000000\n0.000000 0.000000 10.999845\nBa Ga Ag\n2 7 1\ndirect\n0.500000 0.000000 0.747635 Ba\n0.000000 0.500000 0.252365 Ba\n0.000000 0.500000 0.872574 Ga\n0.500000 0.000000 0.370384 Ga\n0.500000 0.000000 0.127426 Ga\n0.000000 0.500000 0.629616 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ba-Ga",
"density": 6.158065821297286,
"density_atomic": 0.04259758194048881,
"volume": 234.75510919776048,
"volume_molar": 14.137283117180843,
"formula_full": "Ba2 Ga7 Ag1",
"formula_reduced": "Ba2Ga7Ag",
"formula_anonymous": "AB2C7",
"energy": -31.97101267,
"energy_per_atom": -3.197101267,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.97101267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2156032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.949000Z",
"spacegroup": 115
},
{
"id": "mp-1217060",
"created_at": "2022-09-04T14:42:40.482231Z",
"structure_string": "Y20 Ga6 Co14\n1.0\n3.945174 0.000000 0.000000\n0.000000 9.550061 0.000000\n0.000000 0.000000 23.079781\nY Ga Co\n20 6 14\ndirect\n0.000000 0.489056 0.693148 Y\n0.000000 0.510944 0.193148 Y\n0.500000 0.003089 0.303077 Y\n0.500000 0.996911 0.803077 Y\n0.000000 0.870506 0.682808 Y\n0.000000 0.129494 0.182808 Y\n0.500000 0.631916 0.311415 Y\n0.500000 0.368084 0.811415 Y\n0.000000 0.659451 0.554793 Y\n0.000000 0.340549 0.054793 Y\n0.500000 0.840429 0.443248 Y\n0.500000 0.159571 0.943248 Y\n0.000000 0.103965 0.519726 Y\n0.000000 0.896035 0.019726 Y\n0.500000 0.399677 0.479516 Y\n0.500000 0.600323 0.979516 Y\n0.000000 0.697273 0.854442 Y\n0.000000 0.302727 0.354442 Y\n0.500000 0.809250 0.157917 Y\n0.500000 0.190750 0.657917 Y\n0.500000 0.314172 0.254339 Ga\n0.500000 0.685828 0.754339 Ga\n0.000000 0.401115 0.916234 Ga\n0.000000 0.598885 0.416234 Ga\n0.500000 0.097391 0.081020 Ga\n0.500000 0.902609 0.581020 Ga\n0.000000 0.964776 0.898849 Co\n0.000000 0.035224 0.398849 Co\n0.500000 0.542006 0.100828 Co\n0.500000 0.457994 0.600828 Co\n0.000000 0.636084 0.079633 Co\n0.000000 0.363916 0.579633 Co\n0.500000 0.863237 0.921972 Co\n0.500000 0.136763 0.421972 Co\n0.000000 0.182329 0.851726 Co\n0.000000 0.817671 0.351726 Co\n0.500000 0.317551 0.144634 Co\n0.500000 0.682449 0.644634 Co\n0.000000 0.190501 0.750676 Co\n0.000000 0.809499 0.250676 Co\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Y",
"density": 5.769929947671743,
"density_atomic": 0.04599980597475908,
"volume": 869.5688851807054,
"volume_molar": 13.091665567686217,
"formula_full": "Y20 Ga6 Co14",
"formula_reduced": "Y10Ga3Co7",
"formula_anonymous": "A3B7C10",
"energy": -260.94934025,
"energy_per_atom": -6.523733506249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.94934025,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2775264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.773000Z",
"spacegroup": 26
}
]
}