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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10403",
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"results": [
{
"id": "mp-1222121",
"created_at": "2022-09-04T14:39:41.306503Z",
"structure_string": "Mg7 Si4 O16\n1.0\n5.898104 4.961367 0.000000\n-5.898104 4.961367 0.000000\n0.000000 3.039146 4.803366\nMg Si O\n7 4 16\ndirect\n0.012516 0.519832 0.997550 Mg\n0.480168 0.987484 0.002450 Mg\n0.723238 0.718777 0.037140 Mg\n0.281223 0.276762 0.962860 Mg\n0.860280 0.139720 0.500000 Mg\n0.122876 0.877124 0.500000 Mg\n0.874557 0.125443 0.000000 Mg\n0.496903 0.236786 0.380703 Si\n0.513974 0.762302 0.604735 Si\n0.763214 0.503097 0.619297 Si\n0.237698 0.486026 0.395265 Si\n0.280411 0.739438 0.720616 O\n0.732239 0.256809 0.249678 O\n0.260562 0.719589 0.279384 O\n0.743191 0.267761 0.750322 O\n0.958873 0.976929 0.766608 O\n0.023071 0.041127 0.233392 O\n0.464929 0.462761 0.283351 O\n0.537239 0.535071 0.716649 O\n0.855965 0.603570 0.281007 O\n0.126929 0.381839 0.251609 O\n0.379605 0.124431 0.251625 O\n0.623637 0.872887 0.261771 O\n0.127113 0.376363 0.738229 O\n0.875569 0.620395 0.748375 O\n0.618161 0.873071 0.748391 O\n0.396430 0.144035 0.718993 O\n",
"nsites": 27,
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"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.180673259314445,
"density_atomic": 0.09604490008420778,
"volume": 281.1185182797591,
"volume_molar": 6.270130693790157,
"formula_full": "Mg7 Si4 O16",
"formula_reduced": "Mg7(SiO4)4",
"formula_anonymous": "A4B7C16",
"energy": -192.8452546,
"energy_per_atom": -7.142416837037037,
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"updated_at": "2021-11-28T01:34:31.529000Z",
"spacegroup": 5
},
{
"id": "mp-720196",
"created_at": "2022-09-04T14:39:41.369395Z",
"structure_string": "Mn4 Fe2 Ag4 P6 O24\n1.0\n6.089870 5.620793 0.000000\n-6.089870 5.620793 0.000000\n0.000000 3.656353 8.905111\nMn Fe Ag P O\n4 2 4 6 24\ndirect\n0.413419 0.035655 0.098590 Mn\n0.376224 0.623776 0.000000 Mn\n0.964345 0.586581 0.901410 Mn\n0.526778 0.473222 0.500000 Mn\n0.991861 0.378275 0.703391 Fe\n0.621725 0.008139 0.296609 Fe\n0.908198 0.091802 0.000000 Ag\n0.391787 0.330238 0.288007 Ag\n0.107622 0.892378 0.500000 Ag\n0.669762 0.608213 0.711993 Ag\n0.802364 0.414400 0.222299 P\n0.149209 0.850791 0.000000 P\n0.585600 0.197636 0.777701 P\n0.459539 0.748206 0.632160 P\n0.840291 0.159709 0.500000 P\n0.251794 0.540461 0.367840 P\n0.352648 0.874721 0.972209 O\n0.038506 0.371963 0.883553 O\n0.751004 0.287463 0.791389 O\n0.282020 0.232959 0.045691 O\n0.074636 0.910769 0.136241 O\n0.396146 0.371070 0.023437 O\n0.628930 0.603854 0.976563 O\n0.089231 0.925364 0.863759 O\n0.767041 0.717980 0.954309 O\n0.868051 0.345103 0.380706 O\n0.712537 0.248996 0.208611 O\n0.628037 0.961494 0.116447 O\n0.393548 0.063069 0.302274 O\n0.253818 0.727424 0.317488 O\n0.125279 0.647352 0.027791 O\n0.223416 0.461237 0.538261 O\n0.977453 0.172435 0.577645 O\n0.487822 0.341372 0.711419 O\n0.658628 0.512178 0.288581 O\n0.827565 0.022547 0.422355 O\n0.538763 0.776584 0.461739 O\n0.272576 0.746182 0.682512 O\n0.936931 0.606452 0.697726 O\n0.654897 0.131949 0.619294 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Mn",
"Fe",
"Ag",
"P",
"O"
],
"chemical_system": "Ag-Fe-Mn-O-P",
"density": 3.6301169003072737,
"density_atomic": 0.06561226722089362,
"volume": 609.6420942951712,
"volume_molar": 9.178376262666784,
"formula_full": "Mn4 Fe2 Ag4 P6 O24",
"formula_reduced": "Mn2FeAg2(PO4)3",
"formula_anonymous": "AB2C2D3E12",
"energy": -265.77510288,
"energy_per_atom": -6.644377572000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -250.72710288,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0012088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.831000Z",
"spacegroup": 5
},
{
"id": "mp-752792",
"created_at": "2022-09-04T14:39:41.729294Z",
"structure_string": "Mn2 V8 O24\n1.0\n-0.698863 -5.278096 5.593393\n5.173679 1.257451 5.593845\n-7.402523 6.652509 0.188536\nMn V O\n2 8 24\ndirect\n0.705737 0.544389 0.624983 Mn\n0.205433 0.044349 0.124771 Mn\n0.959696 0.780790 0.584529 V\n0.459612 0.280893 0.084575 V\n0.969178 0.790345 0.165511 V\n0.469180 0.290459 0.665528 V\n0.544938 0.720206 0.331759 V\n0.045026 0.220183 0.831723 V\n0.529802 0.705011 0.918191 V\n0.029889 0.205035 0.418245 V\n0.868661 0.710543 0.685872 O\n0.368515 0.210569 0.185835 O\n0.039356 0.881374 0.064109 O\n0.539450 0.381409 0.564176 O\n0.150344 0.614205 0.552971 O\n0.650328 0.114326 0.053040 O\n0.135723 0.599666 0.197048 O\n0.635753 0.099746 0.697162 O\n0.517910 0.684557 0.481620 O\n0.017852 0.184621 0.981590 O\n0.565417 0.732018 0.768336 O\n0.065400 0.232070 0.268345 O\n0.776536 0.768805 0.401014 O\n0.276543 0.268815 0.900970 O\n0.981291 0.973460 0.349064 O\n0.481171 0.473522 0.849088 O\n0.535817 0.509678 0.179127 O\n0.035907 0.009595 0.679127 O\n0.740348 0.714162 0.070895 O\n0.240356 0.214222 0.570958 O\n0.373382 0.917076 0.278139 O\n0.873477 0.417029 0.778135 O\n0.332867 0.876557 0.971776 O\n0.832918 0.376499 0.471791 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-V",
"density": 3.029185214991861,
"density_atomic": 0.06880834852629848,
"volume": 494.12608685129584,
"volume_molar": 8.752049553548497,
"formula_full": "Mn2 V8 O24",
"formula_reduced": "MnV4O12",
"formula_anonymous": "AB4C12",
"energy": -282.76354924,
"energy_per_atom": -8.316574977647058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -249.33954924,
"band_gap": 0.9208,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.322000Z",
"spacegroup": 5
},
{
"id": "mp-1274324",
"created_at": "2022-09-04T14:39:41.753110Z",
"structure_string": "Li2 Mn6 O8\n1.0\n1.860663 2.560176 0.084702\n0.007092 0.009757 -6.285786\n-6.998642 5.086418 -0.000002\nLi Mn O\n2 6 8\ndirect\n0.499999 0.749998 0.746611 Li\n0.500000 0.249999 0.246684 Li\n0.499963 0.249983 0.752477 Mn\n0.001836 0.499493 0.498361 Mn\n0.998163 0.000540 0.498359 Mn\n0.500015 0.750015 0.252511 Mn\n0.001851 0.999102 0.998348 Mn\n0.998175 0.500872 0.998328 Mn\n0.075423 0.512726 0.249711 O\n0.075138 0.012612 0.749709 O\n0.924860 0.487389 0.749709 O\n0.924579 0.987275 0.249710 O\n0.500001 0.749999 0.020869 O\n0.500000 0.249999 0.520847 O\n0.499998 0.249999 0.983846 O\n0.500000 0.749997 0.483921 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.548737888324115,
"density_atomic": 0.09295549374067524,
"volume": 172.1253834080681,
"volume_molar": 6.478520545327216,
"formula_full": "Li2 Mn6 O8",
"formula_reduced": "LiMn3O4",
"formula_anonymous": "AB3C4",
"energy": -130.92835628,
"energy_per_atom": -8.1830222675,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -115.42435628,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.179000Z",
"spacegroup": 5
},
{
"id": "mp-781077",
"created_at": "2022-09-04T14:39:42.148200Z",
"structure_string": "Fe10 O14 F6\n1.0\n3.253249 3.348547 0.000000\n-3.253249 3.348547 0.000000\n0.000000 0.033659 15.226948\nFe O F\n10 14 6\ndirect\n0.038152 0.019759 0.706994 Fe\n0.973448 0.970694 0.901410 Fe\n0.029306 0.026552 0.098590 Fe\n0.980241 0.961848 0.293006 Fe\n0.016469 0.983531 0.500000 Fe\n0.505110 0.496101 0.799728 Fe\n0.503899 0.494890 0.200272 Fe\n0.501394 0.498606 0.000000 Fe\n0.487852 0.525073 0.404828 Fe\n0.474927 0.512148 0.595172 Fe\n0.194474 0.795150 0.804887 O\n0.193979 0.806021 0.000000 O\n0.204850 0.805526 0.195113 O\n0.175962 0.804754 0.395700 O\n0.195246 0.824038 0.604300 O\n0.680161 0.674092 0.900722 O\n0.677868 0.679137 0.298560 O\n0.693656 0.704141 0.501714 O\n0.320863 0.322132 0.701440 O\n0.325908 0.319839 0.099278 O\n0.295859 0.306344 0.498286 O\n0.806315 0.187977 0.802661 O\n0.812023 0.193685 0.197339 O\n0.808723 0.191277 0.000000 O\n0.705697 0.706606 0.699256 F\n0.708029 0.701586 0.099222 F\n0.298414 0.291971 0.900778 F\n0.293394 0.294303 0.300744 F\n0.805635 0.207854 0.602624 F\n0.792146 0.194365 0.397376 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.486936193114239,
"density_atomic": 0.0904283674612312,
"volume": 331.7543027951015,
"volume_molar": 6.659570363892543,
"formula_full": "Fe10 O14 F6",
"formula_reduced": "Fe5O7F3",
"formula_anonymous": "A3B5C7",
"energy": -217.27993457,
"energy_per_atom": -7.242664485666666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -182.32993457,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.576000Z",
"spacegroup": 5
},
{
"id": "mp-1296374",
"created_at": "2022-09-04T14:39:42.590414Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.969140 0.057355 1.985290\n-1.116381 4.936930 2.640278\n0.979708 -4.889040 3.390239\nLi Mn Co O\n4 2 2 8\ndirect\n0.003478 0.001075 0.502001 Li\n0.996566 0.498716 0.497991 Li\n0.491369 0.752352 0.505008 Li\n0.508686 0.247310 0.495004 Li\n0.999847 0.500156 0.999936 Mn\n0.500006 0.248875 0.999932 Mn\n0.500008 0.751138 0.999990 Co\n0.000108 0.001265 0.000176 Co\n0.764832 0.861719 0.216786 O\n0.266145 0.119253 0.234271 O\n0.235108 0.645171 0.783253 O\n0.733339 0.884456 0.766143 O\n0.774119 0.360580 0.227079 O\n0.272763 0.616196 0.237006 O\n0.225852 0.133615 0.772991 O\n0.727774 0.378124 0.762431 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.276454114219795,
"density_atomic": 0.10744530199048953,
"volume": 148.912979009694,
"volume_molar": 5.604843253670641,
"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
"energy": -109.60317547,
"energy_per_atom": -6.850198466875,
"energy_above_hull": null,
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"energy_uncorrected": -97.49517547,
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"updated_at": "2021-11-28T01:34:33.100000Z",
"spacegroup": 5
},
{
"id": "mp-1239219",
"created_at": "2022-09-04T14:39:42.882621Z",
"structure_string": "Ta1 Cr3 Cu2 S8\n1.0\n3.564638 5.997715 0.000000\n-3.564638 5.997715 0.000000\n0.000000 3.912066 5.780878\nTa Cr Cu S\n1 3 2 8\ndirect\n0.358453 0.641547 0.000000 Ta\n0.883973 0.620801 0.001105 Cr\n0.379199 0.116027 0.998895 Cr\n0.380066 0.619934 0.500000 Cr\n0.739646 0.006776 0.372340 Cu\n0.993224 0.260354 0.627660 Cu\n0.130837 0.863268 0.746449 S\n0.136847 0.369624 0.231772 S\n0.601305 0.376593 0.758784 S\n0.137437 0.381503 0.760892 S\n0.623407 0.398695 0.241216 S\n0.618497 0.862563 0.239108 S\n0.136732 0.869163 0.253551 S\n0.630376 0.863153 0.768228 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-S-Ta",
"density": 4.84046479375657,
"density_atomic": 0.056637356961556765,
"volume": 247.18667591608585,
"volume_molar": 10.632806831165507,
"formula_full": "Ta1 Cr3 Cu2 S8",
"formula_reduced": "TaCr3(CuS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -96.04652679,
"energy_per_atom": -6.860466199285715,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.256000Z",
"spacegroup": 5
},
{
"id": "mp-754301",
"created_at": "2022-09-04T14:39:42.765821Z",
"structure_string": "Li5 Ti2 V5 O12\n1.0\n5.210100 0.231163 -0.150668\n2.482260 4.586608 0.150668\n-0.712429 1.137509 9.959051\nLi Ti V O\n5 2 5 12\ndirect\n0.159122 0.670905 0.505398 Li\n0.324846 0.835347 0.994514 Li\n0.670905 0.159122 0.994602 Li\n0.835347 0.324846 0.505486 Li\n0.919508 0.919508 0.750000 Li\n0.251946 0.251946 0.750000 Ti\n0.750860 0.750860 0.250000 Ti\n0.996864 0.505680 0.995553 V\n0.505680 0.996864 0.504447 V\n0.422162 0.422162 0.250000 V\n0.579674 0.579674 0.750000 V\n0.082874 0.082874 0.250000 V\n0.965760 0.219899 0.865245 O\n0.219899 0.965760 0.634755 O\n0.117664 0.387110 0.368374 O\n0.387110 0.117664 0.131626 O\n0.299636 0.517191 0.865678 O\n0.517191 0.299636 0.634322 O\n0.485024 0.705393 0.370950 O\n0.705393 0.485024 0.129050 O\n0.604027 0.881013 0.863940 O\n0.881013 0.604027 0.636060 O\n0.795766 0.021728 0.372333 O\n0.021728 0.795766 0.127667 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 4.158868520070801,
"density_atomic": 0.10414937941888637,
"volume": 230.43824297284155,
"volume_molar": 5.782214731956387,
"formula_full": "Li5 Ti2 V5 O12",
"formula_reduced": "Li5Ti2V5O12",
"formula_anonymous": "A2B5C5D12",
"energy": -191.99714779,
"energy_per_atom": -7.9998811579166675,
"energy_above_hull": null,
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"energy_uncorrected": -175.25314779,
"band_gap": 0.1772,
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"updated_at": "2021-11-28T01:34:27.225000Z",
"spacegroup": 5
},
{
"id": "mp-1218313",
"created_at": "2022-09-04T14:39:42.769173Z",
"structure_string": "Sr1 La3 Mn2 Cr2 O12\n1.0\n2.776678 1.669650 4.495286\n-2.777052 1.669666 4.495511\n-2.777020 -8.092787 4.403274\nSr La Mn Cr O\n1 3 2 2 12\ndirect\n0.870722 0.254296 0.625012 Sr\n0.377657 0.247338 0.124997 La\n0.127038 0.747189 0.378028 La\n0.624732 0.751019 0.871972 La\n0.250666 0.499641 0.749818 Mn\n0.500539 0.999166 0.500173 Mn\n0.747683 0.502997 0.250046 Cr\n0.996976 0.002294 0.999972 Cr\n0.807260 0.817688 0.125002 O\n0.328014 0.797217 0.624900 O\n0.164572 0.252248 0.343584 O\n0.643184 0.257029 0.845130 O\n0.647948 0.701915 0.404881 O\n0.154108 0.679078 0.906422 O\n0.337017 0.749013 0.160414 O\n0.848078 0.749205 0.656712 O\n0.840537 0.323352 0.089616 O\n0.344125 0.308634 0.593251 O\n0.692986 0.184969 0.368850 O\n0.196159 0.175711 0.881218 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"La",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-La-Mn-O-Sr",
"density": 6.222995963491284,
"density_atomic": 0.08234643064611176,
"volume": 242.87634379626095,
"volume_molar": 7.313177648076182,
"formula_full": "Sr1 La3 Mn2 Cr2 O12",
"formula_reduced": "SrLa3Mn2Cr2O12",
"formula_anonymous": "AB2C2D3E12",
"energy": -172.69604162000002,
"energy_per_atom": -8.634802081,
"energy_above_hull": null,
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"energy_uncorrected": -157.11804162,
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},
{
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n-4.921006 -2.494323 0.430841\n3.787278 -2.498086 6.149746\n-1.140919 4.999601 6.584983\nLi Mn P O\n4 4 4 16\ndirect\n0.781918 0.780727 0.720402 Li\n0.281887 0.280803 0.220430 Li\n0.017064 0.016347 0.984799 Li\n0.517066 0.516337 0.484862 Li\n0.894448 0.185399 0.542033 Mn\n0.607013 0.312881 0.962851 Mn\n0.394599 0.685510 0.041987 Mn\n0.106986 0.812908 0.462773 Mn\n0.099955 0.448312 0.782179 P\n0.600012 0.948330 0.282166 P\n0.395596 0.044449 0.728236 P\n0.895620 0.544447 0.228249 P\n0.543949 0.878743 0.794340 O\n0.043822 0.378656 0.294429 O\n0.260943 0.424396 0.951512 O\n0.760990 0.924414 0.451507 O\n0.981149 0.249808 0.770657 O\n0.481091 0.749817 0.270709 O\n0.271442 0.579686 0.626748 O\n0.771543 0.079619 0.126725 O\n0.531194 0.219850 0.576911 O\n0.031306 0.719786 0.076921 O\n0.367045 0.095805 0.886741 O\n0.867051 0.595890 0.386700 O\n0.133459 0.967277 0.659905 O\n0.633448 0.467348 0.159894 O\n0.876635 0.539014 0.791199 O\n0.376771 0.039135 0.291141 O\n",
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"elements": [
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"O"
],
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"density_atomic": 0.08780462376457557,
"volume": 318.88981239842735,
"volume_molar": 6.858569061404723,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:34:33.416000Z",
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{
"id": "mp-769519",
"created_at": "2022-09-04T14:39:43.220757Z",
"structure_string": "Li21 Fe4 O16\n1.0\n4.725594 4.530576 0.000000\n-4.725594 4.530576 0.000000\n0.000000 0.022865 9.495796\nLi Fe O\n21 4 16\ndirect\n0.464288 0.950042 0.762801 Li\n0.455547 0.955876 0.254570 Li\n0.281077 0.272704 0.722376 Li\n0.223648 0.219599 0.472621 Li\n0.278058 0.275643 0.221017 Li\n0.250007 0.243685 0.971448 Li\n0.044124 0.544453 0.745430 Li\n0.049958 0.535712 0.237199 Li\n0.018696 0.973696 0.738898 Li\n0.026304 0.981304 0.261102 Li\n0.965018 0.456429 0.490055 Li\n0.970918 0.029082 0.000000 Li\n0.969355 0.464854 0.991906 Li\n0.780401 0.776352 0.527379 Li\n0.724357 0.721942 0.778983 Li\n0.756315 0.749993 0.028552 Li\n0.727296 0.718923 0.277624 Li\n0.543571 0.034982 0.509945 Li\n0.535146 0.030645 0.008094 Li\n0.522934 0.477066 0.500000 Li\n0.515762 0.484238 0.000000 Li\n0.246229 0.753771 0.500000 Fe\n0.246737 0.753263 0.000000 Fe\n0.744035 0.255494 0.748491 Fe\n0.744506 0.255965 0.251509 Fe\n0.501906 0.239351 0.862212 O\n0.499968 0.234206 0.363812 O\n0.234823 0.478620 0.089311 O\n0.262789 0.997304 0.614220 O\n0.245322 0.019810 0.115124 O\n0.235392 0.488478 0.588352 O\n0.007132 0.264601 0.339824 O\n0.006224 0.250899 0.847030 O\n0.002696 0.737211 0.385780 O\n0.980190 0.754678 0.884876 O\n0.749101 0.993776 0.152970 O\n0.735399 0.992868 0.660176 O\n0.765794 0.500032 0.636188 O\n0.760649 0.498094 0.137788 O\n0.511522 0.764608 0.411648 O\n0.521380 0.765177 0.910689 O\n",
"nsites": 41,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.5529905845045717,
"density_atomic": 0.10083531482026435,
"volume": 406.6035800362319,
"volume_molar": 5.972253640239304,
"formula_full": "Li21 Fe4 O16",
"formula_reduced": "Li21(FeO4)4",
"formula_anonymous": "A4B16C21",
"energy": -235.99142479,
"energy_per_atom": -5.755888409512195,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:26.607000Z",
"spacegroup": 5
},
{
"id": "mp-1226660",
"created_at": "2022-09-04T14:39:43.295877Z",
"structure_string": "Co19 Si8 B4\n1.0\n-4.316595 4.319935 2.109379\n-4.316595 -4.319935 -2.109379\n0.000000 -0.006945 8.452251\nCo Si B\n19 8 4\ndirect\n0.873267 0.722780 0.714258 Co\n0.871986 0.716031 0.210989 Co\n0.127267 0.281714 0.286899 Co\n0.126416 0.277613 0.790108 Co\n0.277613 0.126416 0.459892 Co\n0.281714 0.127267 0.963101 Co\n0.722780 0.873267 0.535742 Co\n0.716031 0.871986 0.039011 Co\n0.724000 0.125097 0.347736 Co\n0.717800 0.126874 0.852768 Co\n0.277012 0.874994 0.648205 Co\n0.282391 0.872290 0.148054 Co\n0.126874 0.717800 0.397232 Co\n0.125097 0.724000 0.902264 Co\n0.874994 0.277012 0.601795 Co\n0.872290 0.282391 0.101946 Co\n0.500868 0.500868 0.125000 Co\n0.500605 0.499665 0.410875 Co\n0.499665 0.500605 0.839125 Co\n0.499657 0.179032 0.178682 Si\n0.501052 0.177373 0.641308 Si\n0.499590 0.823957 0.803013 Si\n0.499497 0.821693 0.339843 Si\n0.823957 0.499590 0.446987 Si\n0.821693 0.499497 0.910157 Si\n0.177373 0.501052 0.608692 Si\n0.179032 0.499657 0.071318 Si\n0.001478 0.001478 0.125000 B\n0.998379 0.998379 0.625000 B\n0.002812 0.996809 0.371601 B\n0.996809 0.002812 0.878399 B\n",
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],
"chemical_system": "B-Co-Si",
"density": 7.3069587325866285,
"density_atomic": 0.09830295807073047,
"volume": 315.3516497203983,
"volume_molar": 6.126103301659527,
"formula_full": "Co19 Si8 B4",
"formula_reduced": "Co19(Si2B)4",
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"energy": -217.90511661,
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]
}