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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4022",
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"results": [
{
"id": "jvasp-40215",
"created_at": "2022-09-04T14:38:01.306876Z",
"updated_at": "2022-09-04T14:38:01.306910Z",
"structure_string": "Ca4 Sn4 S12\n1.0\n0.000000 7.288451 0.110962\n9.942473 0.000000 0.000000\n0.000000 -1.334902 -7.171942\nCa Sn S\n4 4 12\ndirect\n0.763990 0.391626 0.103984 Ca\n0.736010 0.891626 0.896017 Ca\n0.236010 0.608374 0.896017 Ca\n0.263990 0.108374 0.103983 Ca\n0.011102 0.807795 0.359955 Sn\n0.488898 0.307795 0.640045 Sn\n0.988898 0.192204 0.640045 Sn\n0.511102 0.692204 0.359955 Sn\n0.564749 0.158832 0.908413 S\n0.935251 0.658832 0.091588 S\n0.434586 0.479537 0.221298 S\n0.065414 0.979537 0.778702 S\n0.565414 0.520463 0.778702 S\n0.318698 0.786440 0.571647 S\n0.681302 0.213559 0.428353 S\n0.818698 0.713559 0.571647 S\n0.064749 0.341168 0.908413 S\n0.181302 0.286441 0.428353 S\n0.934586 0.020463 0.221298 S\n0.435251 0.841168 0.091587 S\n",
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"formula_full": "Ca4 Sn4 S12",
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{
"id": "jvasp-29769",
"created_at": "2022-09-04T14:38:02.041699Z",
"updated_at": "2022-09-04T14:38:02.041716Z",
"structure_string": "Ge4 Pb4 S12\n1.0\n6.934774 0.030946 0.000000\n-1.954586 7.021019 0.000000\n0.000000 0.000000 10.421083\nGe Pb S\n4 4 12\ndirect\n0.993074 0.320822 0.795434 Ge\n0.493075 0.320821 0.704565 Ge\n0.006925 0.679179 0.204565 Ge\n0.506925 0.679180 0.295435 Ge\n0.778607 0.140171 0.417395 Pb\n0.278607 0.140171 0.082605 Pb\n0.721392 0.859830 0.917394 Pb\n0.221392 0.859830 0.582605 Pb\n0.584085 0.942048 0.177892 S\n0.084086 0.942047 0.322108 S\n0.812627 0.516772 0.715541 S\n0.587971 0.768270 0.495879 S\n0.187372 0.483228 0.284459 S\n0.687372 0.483229 0.215541 S\n0.915913 0.057953 0.677892 S\n0.415914 0.057953 0.822108 S\n0.087971 0.768270 0.004121 S\n0.412028 0.231731 0.504121 S\n0.912028 0.231731 0.995879 S\n0.312628 0.516772 0.784459 S\n",
"nsites": 20,
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"elements": [
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"Pb",
"S"
],
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"density": 4.9164638826594205,
"density_atomic": 0.039368193855708805,
"volume": 508.0243222054696,
"volume_molar": 15.296969889124659,
"formula_full": "Ge4 Pb4 S12",
"formula_reduced": "GePbS3",
"formula_anonymous": "ABC3",
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"spacegroup": 14
},
{
"id": "jvasp-57183",
"created_at": "2022-09-04T14:38:01.578491Z",
"updated_at": "2022-09-04T14:38:01.578516Z",
"structure_string": "Fe4 As4 S4\n1.0\n0.000000 5.760291 0.004152\n5.685418 0.000000 0.000000\n0.000000 -2.167752 -5.356008\nFe As S\n4 4 4\ndirect\n0.287471 0.491442 0.795925 Fe\n0.712530 0.508558 0.204076 Fe\n0.712530 0.991442 0.704076 Fe\n0.287471 0.008558 0.295925 Fe\n0.853649 0.367519 0.628911 As\n0.146352 0.867519 0.871090 As\n0.853649 0.132481 0.128911 As\n0.146351 0.632481 0.371090 As\n0.651791 0.867582 0.323791 S\n0.348209 0.367582 0.176210 S\n0.651792 0.632419 0.823791 S\n0.348209 0.132418 0.676210 S\n",
"nsites": 12,
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"elements": [
"Fe",
"As",
"S"
],
"chemical_system": "As-Fe-S",
"density": 6.167745618331272,
"density_atomic": 0.06843210832227899,
"volume": 175.35628076058035,
"volume_molar": 8.800168382419123,
"formula_full": "Fe4 As4 S4",
"formula_reduced": "FeAsS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.09267575,
"spacegroup": 14
},
{
"id": "jvasp-59033",
"created_at": "2022-09-04T14:38:01.588777Z",
"updated_at": "2022-09-04T14:38:01.588806Z",
"structure_string": "K8 Te4 S12\n1.0\n0.000000 6.325918 0.034471\n8.963633 0.000000 0.000000\n0.000000 -6.240498 -13.207364\nK Te S\n8 4 12\ndirect\n0.662327 0.370089 0.415852 K\n0.337673 0.870089 0.084148 K\n0.337673 0.629911 0.584148 K\n0.662327 0.129911 0.915852 K\n0.003249 0.391858 0.746081 K\n0.996751 0.891857 0.753919 K\n0.996751 0.608142 0.253919 K\n0.003249 0.108142 0.246081 K\n0.283286 0.172824 0.579410 Te\n0.716713 0.672824 0.920590 Te\n0.716714 0.827176 0.420590 Te\n0.283287 0.327176 0.079410 Te\n0.916799 0.133084 0.585877 S\n0.816971 0.663284 0.563171 S\n0.183029 0.163284 0.936829 S\n0.183029 0.336715 0.436829 S\n0.816971 0.836715 0.063171 S\n0.524317 0.660171 0.280213 S\n0.475683 0.160171 0.219786 S\n0.475683 0.339829 0.719786 S\n0.524317 0.839829 0.780213 S\n0.083201 0.866916 0.414123 S\n0.916799 0.366916 0.085877 S\n0.083200 0.633084 0.914123 S\n",
"nsites": 24,
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"elements": [
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"Te",
"S"
],
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"density": 2.685343315189164,
"density_atomic": 0.03212973229437386,
"volume": 746.9716765801552,
"volume_molar": 18.74320241707871,
"formula_full": "K8 Te4 S12",
"formula_reduced": "K2TeS3",
"formula_anonymous": "AB2C3",
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"spacegroup": 14
},
{
"id": "jvasp-22907",
"created_at": "2022-09-04T14:38:01.735928Z",
"updated_at": "2022-09-04T14:38:01.735957Z",
"structure_string": "Pr4 Pt4 F28\n1.0\n0.000000 9.193075 0.032712\n5.533654 0.000000 0.000000\n0.000000 -5.840374 -10.917677\nPr Pt F\n4 4 28\ndirect\n0.811037 0.762850 0.237230 Pr\n0.188964 0.262850 0.262770 Pr\n0.188964 0.237150 0.762771 Pr\n0.811037 0.737149 0.737230 Pr\n0.272871 0.756342 0.041701 Pt\n0.727130 0.256343 0.458300 Pt\n0.727130 0.243657 0.958300 Pt\n0.272872 0.743657 0.541701 Pt\n0.030347 0.747846 0.452541 F\n0.720784 0.954544 0.373096 F\n0.279217 0.454544 0.126904 F\n0.279217 0.045456 0.626904 F\n0.720785 0.545455 0.873096 F\n0.739092 0.429503 0.324702 F\n0.260909 0.570497 0.675298 F\n0.260909 0.929502 0.175298 F\n0.969654 0.247847 0.047460 F\n0.961441 0.384857 0.771815 F\n0.038561 0.884857 0.728186 F\n0.739092 0.070497 0.824702 F\n0.969654 0.252153 0.547460 F\n0.485489 0.275128 0.365505 F\n0.514513 0.724871 0.634495 F\n0.485489 0.224871 0.865505 F\n0.038560 0.615142 0.228186 F\n0.514512 0.775128 0.134495 F\n0.273005 0.063428 0.962188 F\n0.726997 0.563428 0.537812 F\n0.726997 0.936571 0.037812 F\n0.273004 0.436571 0.462188 F\n0.708336 0.077973 0.588195 F\n0.291666 0.577972 0.911806 F\n0.291666 0.922026 0.411805 F\n0.708335 0.422027 0.088195 F\n0.030347 0.752152 0.952541 F\n0.961441 0.115142 0.271815 F\n",
"nsites": 36,
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"elements": [
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"Pt",
"F"
],
"chemical_system": "F-Pr-Pt",
"density": 5.6193783986828185,
"density_atomic": 0.06494218999178815,
"volume": 554.3391746498255,
"volume_molar": 9.273079273676315,
"formula_full": "Pr4 Pt4 F28",
"formula_reduced": "PrPtF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.1333114697222222,
"spacegroup": 14
},
{
"id": "jvasp-29399",
"created_at": "2022-09-04T14:38:01.937246Z",
"updated_at": "2022-09-04T14:38:01.937268Z",
"structure_string": "Co2 As8 F36\n1.0\n7.209138 -0.087420 0.000000\n-0.314063 7.233941 0.000000\n0.000000 0.000000 12.368722\nCo As F\n2 8 36\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 As\n0.475848 0.560077 0.209510 As\n0.000000 0.500000 0.000000 As\n0.024153 0.939923 0.709510 As\n0.975848 0.060077 0.290490 As\n0.524153 0.439923 0.790490 As\n0.500000 -0.000000 0.500000 As\n0.500000 -0.000000 0.000000 As\n0.362363 0.757935 0.246873 F\n0.425724 0.449804 0.344040 F\n0.728638 0.052771 0.544234 F\n0.568796 0.781680 0.045041 F\n0.762256 0.435789 0.458465 F\n0.228638 0.552771 0.955766 F\n0.694945 0.647123 0.252794 F\n0.934235 0.731931 0.961859 F\n0.637638 0.242065 0.753127 F\n0.074276 0.050196 0.844040 F\n0.068795 0.281680 0.454959 F\n0.065765 0.268069 0.038141 F\n0.565766 0.768069 0.461859 F\n0.137638 0.742064 0.746873 F\n0.045774 0.593918 0.372425 F\n0.435633 0.922466 0.629353 F\n0.237745 0.564211 0.541534 F\n0.064368 0.577534 0.129353 F\n0.862363 0.257935 0.253127 F\n0.737745 0.064211 0.958465 F\n0.574276 0.550196 0.655960 F\n0.194944 0.147123 0.247206 F\n0.262256 0.935789 0.041534 F\n0.434235 0.231931 0.538141 F\n0.305056 0.352877 0.747206 F\n0.431205 0.218320 0.954959 F\n0.954227 0.406082 0.627575 F\n0.271362 0.947228 0.455766 F\n0.771362 0.447228 0.044234 F\n0.564368 0.077534 0.370647 F\n0.931205 0.718320 0.545040 F\n0.545774 0.093918 0.127575 F\n0.454227 0.906082 0.872425 F\n0.925725 0.949804 0.155960 F\n0.935633 0.422466 0.870647 F\n0.805057 0.852877 0.752794 F\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Co",
"As",
"F"
],
"chemical_system": "As-Co-F",
"density": 3.6090186543780995,
"density_atomic": 0.07135154850889285,
"volume": 644.6951882798567,
"volume_molar": 8.440098198078259,
"formula_full": "Co2 As8 F36",
"formula_reduced": "CoAs4F18",
"formula_anonymous": "AB4C18",
"energy_above_hull": 0.4570336080434782,
"spacegroup": 14
},
{
"id": "jvasp-24282",
"created_at": "2022-09-04T14:38:02.053430Z",
"updated_at": "2022-09-04T14:38:02.053452Z",
"structure_string": "Cd4 B8 Xe4 F40\n1.0\n0.000000 8.722806 -0.014290\n9.157830 0.000000 0.000000\n0.000000 -3.814853 -9.955305\nCd B Xe F\n4 8 4 40\ndirect\n0.654392 0.537310 0.362153 Cd\n0.154392 0.962689 0.362153 Cd\n0.845609 0.037310 0.637848 Cd\n0.345609 0.462689 0.637848 Cd\n0.475323 0.220887 0.423756 B\n0.524678 0.779113 0.576244 B\n0.709908 0.902663 0.288804 B\n0.975323 0.279113 0.423756 B\n0.790093 0.402663 0.711197 B\n0.290093 0.097337 0.711197 B\n0.209908 0.597337 0.288804 B\n0.024678 0.720887 0.576244 B\n0.652499 0.293097 0.048192 Xe\n0.347502 0.706903 0.951809 Xe\n0.152499 0.206903 0.048192 Xe\n0.847502 0.793097 0.951809 Xe\n0.273964 0.078447 0.574297 F\n0.409004 0.845752 0.463155 F\n0.356465 0.240900 0.750813 F\n0.112824 0.827935 0.532765 F\n0.365813 0.115354 0.343708 F\n0.369592 0.591463 0.278959 F\n0.051815 0.207449 0.344016 F\n0.865813 0.384646 0.343708 F\n0.391211 0.993733 0.793266 F\n0.643536 0.759100 0.249187 F\n0.229745 0.373427 0.957654 F\n0.551815 0.292550 0.344016 F\n0.590997 0.154248 0.536846 F\n0.270255 0.873427 0.042347 F\n0.608790 0.006267 0.206735 F\n0.887177 0.172064 0.467236 F\n0.226037 0.578447 0.425704 F\n0.909004 0.654248 0.463155 F\n0.072012 0.031520 0.143233 F\n0.948186 0.792550 0.655985 F\n0.130409 0.091463 0.721042 F\n0.108790 0.493733 0.206735 F\n0.572012 0.468480 0.143233 F\n0.869592 0.908537 0.278959 F\n0.427988 0.531520 0.856768 F\n0.612824 0.672064 0.532765 F\n0.143536 0.740900 0.249187 F\n0.448186 0.707449 0.655985 F\n0.726037 0.921553 0.425704 F\n0.927989 0.968480 0.856768 F\n0.770255 0.626573 0.042347 F\n0.891211 0.506267 0.793266 F\n0.387177 0.327935 0.467236 F\n0.773964 0.421553 0.574297 F\n0.729746 0.126573 0.957654 F\n0.134188 0.615354 0.656293 F\n0.856465 0.259100 0.750813 F\n0.630409 0.408537 0.721042 F\n0.634188 0.884646 0.656293 F\n0.090997 0.345752 0.536846 F\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Cd",
"B",
"Xe",
"F"
],
"chemical_system": "B-Cd-F-Xe",
"density": 3.8004970215957776,
"density_atomic": 0.07037398034288814,
"volume": 795.7486520891276,
"volume_molar": 8.55733998653749,
"formula_full": "Cd4 B8 Xe4 F40",
"formula_reduced": "CdB2XeF10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 0.1742237565476188,
"spacegroup": 14
},
{
"id": "jvasp-46782",
"created_at": "2022-09-04T14:38:04.924838Z",
"updated_at": "2022-09-04T14:38:04.924864Z",
"structure_string": "Mn4 O4 F8\n1.0\n0.000000 5.661465 -0.296244\n4.872729 0.000000 0.000000\n0.000000 -1.912220 -7.144620\nMn O F\n4 4 8\ndirect\n0.393135 0.996410 0.689613 Mn\n0.893135 0.503590 0.689613 Mn\n0.106866 0.496410 0.310386 Mn\n0.606866 0.003590 0.310386 Mn\n-0.002548 0.396643 0.939518 O\n0.497453 0.103358 0.939518 O\n0.502548 0.896643 0.060482 O\n0.002548 0.603358 0.060482 O\n0.096109 0.835527 0.732932 F\n0.596109 0.664473 0.732932 F\n0.181846 0.337414 0.585666 F\n0.681846 0.162586 0.585666 F\n0.318155 0.837414 0.414333 F\n0.818155 0.662586 0.414333 F\n0.403892 0.335527 0.267068 F\n0.903892 0.164473 0.267068 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.620372653750341,
"density_atomic": 0.08005707461840139,
"volume": 199.85741517867487,
"volume_molar": 7.522309288348379,
"formula_full": "Mn4 O4 F8",
"formula_reduced": "MnOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1150103265948277,
"spacegroup": 14
},
{
"id": "jvasp-45782",
"created_at": "2022-09-04T14:38:02.838421Z",
"updated_at": "2022-09-04T14:38:02.838442Z",
"structure_string": "Mn6 O4 F12\n1.0\n0.000000 5.388142 -0.012666\n4.674014 0.000000 0.000000\n0.000000 -0.912617 -9.932786\nMn O F\n6 4 12\ndirect\n0.500000 0.500000 0.000000 Mn\n0.261863 0.973312 0.756609 Mn\n0.738136 0.473312 0.743392 Mn\n0.500000 0.000000 0.500000 Mn\n0.261863 0.526687 0.256609 Mn\n0.738136 0.026687 0.243392 Mn\n0.477705 0.674783 0.823364 O\n0.522294 0.174784 0.676637 O\n0.477706 0.825215 0.323364 O\n0.522294 0.325216 0.176637 O\n0.021446 0.232731 0.190839 F\n0.978554 0.732730 0.309161 F\n0.778971 0.182979 0.425108 F\n0.302370 0.325104 0.420978 F\n0.697629 0.674895 0.579022 F\n0.302370 0.174896 0.920979 F\n0.021446 0.267269 0.690840 F\n0.978553 0.767268 0.809161 F\n0.778971 0.317020 0.925108 F\n0.221028 0.682979 0.074893 F\n0.221028 0.817020 0.574893 F\n0.697629 0.825103 0.079022 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.125445746586722,
"density_atomic": 0.08792831905512782,
"volume": 250.20380505860473,
"volume_molar": 6.848920603411444,
"formula_full": "Mn6 O4 F12",
"formula_reduced": "Mn3(OF3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 1.6237618562852665,
"spacegroup": 14
},
{
"id": "jvasp-29390",
"created_at": "2022-09-04T14:38:03.870427Z",
"updated_at": "2022-09-04T14:38:03.870454Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.979775 0.000000 -1.673245\n0.000000 8.924212 0.000000\n-0.571764 0.000000 9.845198\nMg Si O\n8 8 24\ndirect\n0.691859 0.843202 0.278647 Mg\n0.191858 0.656797 0.278647 Mg\n0.349599 0.510955 0.767143 Mg\n0.308143 0.156797 0.721353 Mg\n0.808143 0.343203 0.721353 Mg\n0.650403 0.489045 0.232857 Mg\n0.150403 0.010955 0.232857 Mg\n0.849599 0.989045 0.767143 Mg\n0.242723 0.834332 0.569455 Si\n0.757278 0.165667 0.430545 Si\n0.292302 0.211430 0.985917 Si\n0.207699 0.711430 0.014083 Si\n0.742724 0.665667 0.569455 Si\n0.792302 0.288569 0.985917 Si\n0.257278 0.334332 0.430545 Si\n0.707700 0.788569 0.014083 Si\n0.463789 0.685293 0.618716 O\n0.889705 0.769733 0.906916 O\n0.110297 0.230267 0.093084 O\n0.289379 0.830459 0.150530 O\n0.765825 0.947093 0.100213 O\n0.111780 0.842579 0.390886 O\n0.388221 0.342579 0.609114 O\n0.568947 0.027457 0.348364 O\n0.610297 0.269733 0.093084 O\n0.036213 0.185293 0.381285 O\n0.710622 0.169541 0.849470 O\n0.963789 0.814706 0.618715 O\n0.536213 0.314706 0.381284 O\n0.931055 0.527457 0.651635 O\n0.234177 0.052907 0.899787 O\n0.431054 0.972542 0.651636 O\n0.888221 0.157421 0.609114 O\n0.789380 0.669541 0.150530 O\n0.068947 0.472543 0.348365 O\n0.734177 0.447093 0.899786 O\n0.611781 0.657421 0.390886 O\n0.210622 0.330459 0.849470 O\n0.389704 0.730267 0.906916 O\n0.265824 0.552907 0.100214 O\n",
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{
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"created_at": "2022-09-04T14:38:02.953098Z",
"updated_at": "2022-09-04T14:38:02.953130Z",
"structure_string": "Si2 H20 O8 F12\n1.0\n5.804642 0.000000 -1.557941\n0.000000 9.946337 0.000000\n0.058102 0.000000 6.447332\nSi H O F\n2 20 8 12\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.610313 0.356008 0.631815 H\n0.389686 0.643992 0.368185 H\n0.610313 0.143992 0.131815 H\n0.744874 0.224495 0.736173 H\n0.255125 0.724495 0.763827 H\n0.255125 0.775505 0.263827 H\n0.744874 0.275505 0.236173 H\n0.432658 0.191860 0.628377 H\n0.567341 0.691860 0.871622 H\n0.389686 0.856009 0.868185 H\n0.432658 0.308140 0.128377 H\n0.173724 0.114862 0.649750 H\n0.826275 0.614862 0.850250 H\n0.826276 0.885139 0.350250 H\n0.173724 0.385138 0.149750 H\n0.216291 0.122302 0.410481 H\n0.783709 0.622302 0.089519 H\n0.783708 0.877699 0.589518 H\n0.216291 0.377698 0.910481 H\n0.567342 0.808140 0.371623 H\n0.597824 0.273915 0.715705 O\n0.402175 0.773915 0.784295 O\n0.402176 0.726086 0.284295 O\n0.597824 0.226085 0.215705 O\n0.706420 0.612982 0.933156 O\n0.706420 0.887018 0.433156 O\n0.293580 0.387018 0.066844 O\n0.293579 0.112982 0.566844 O\n0.969179 0.394473 0.279528 F\n0.066040 0.363987 0.668493 F\n0.933959 0.863987 0.831507 F\n0.933959 0.636013 0.331507 F\n0.066040 0.136013 0.168493 F\n0.282679 0.519838 0.509479 F\n0.717320 0.019838 0.990520 F\n0.717320 0.480162 0.490520 F\n0.282680 0.980162 0.009480 F\n0.030820 0.605527 0.720472 F\n0.969179 0.105527 0.779528 F\n0.030820 0.894473 0.220472 F\n",
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},
{
"id": "jvasp-35267",
"created_at": "2022-09-04T14:38:03.020727Z",
"updated_at": "2022-09-04T14:38:03.020751Z",
"structure_string": "Na8 Zn4 S8\n1.0\n0.000000 6.853022 0.031372\n7.055452 0.000000 0.000000\n0.000000 -0.529329 -8.799031\nNa Zn S\n8 4 8\ndirect\n0.546607 0.674967 0.678225 Na\n0.953392 0.174967 0.321775 Na\n0.453392 0.325033 0.321775 Na\n0.046607 0.825033 0.678225 Na\n0.512219 0.764262 0.052873 Na\n0.987781 0.264263 0.947127 Na\n0.487781 0.235737 0.947127 Na\n0.012219 0.735737 0.052873 Na\n0.344237 0.903463 0.370420 Zn\n0.155762 0.403463 0.629580 Zn\n0.655762 0.096536 0.629580 Zn\n0.844237 0.596536 0.370420 Zn\n0.302624 0.106654 0.591571 S\n0.197375 0.606654 0.408429 S\n0.697375 0.893346 0.408430 S\n0.802624 0.393346 0.591571 S\n0.246252 0.044452 0.143656 S\n0.253748 0.544452 0.856344 S\n0.753748 0.955547 0.856344 S\n0.746252 0.455547 0.143657 S\n",
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"formula_full": "Na8 Zn4 S8",
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}
]
}