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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4435",
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"results": [
{
"id": "jvasp-112226",
"created_at": "2022-09-04T14:38:47.094355Z",
"updated_at": "2022-09-04T14:38:47.094383Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.458785 0.009547 1.047205\n1.988753 5.688275 1.486717\n0.022947 0.106359 9.908167\nSn H C Cl\n2 8 4 4\ndirect\n0.986089 0.787787 0.268011 Sn\n0.015504 0.287552 0.767954 Sn\n0.644504 0.600999 0.585535 H\n0.775838 0.973836 0.950362 H\n0.225761 0.101490 0.085595 H\n0.357100 0.474298 0.450412 H\n0.127164 0.735853 0.523786 H\n0.670392 0.235604 0.023624 H\n0.331192 0.839719 0.012339 H\n0.874473 0.339435 0.512177 H\n0.883332 0.478754 0.559098 C\n0.118273 0.596550 0.476858 C\n0.865655 0.096350 0.976802 C\n0.135939 0.978978 0.059159 C\n0.213723 0.554205 0.837710 Cl\n0.549920 0.020991 0.698243 Cl\n0.451664 0.054331 0.337721 Cl\n0.787883 0.521131 0.198245 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
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],
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"density": 2.8859197262310152,
"density_atomic": 0.07185893186470153,
"volume": 250.4907814924249,
"volume_molar": 8.380504140165478,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.983401092777778,
"spacegroup": 15
},
{
"id": "jvasp-103990",
"created_at": "2022-09-04T14:36:50.000781Z",
"updated_at": "2022-09-04T14:36:50.000803Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n3.960950 -0.000582 -0.002379\n-1.979375 5.898601 -1.563372\n0.004987 -0.052042 10.401862\nSn H C Cl\n2 8 4 4\ndirect\n0.974004 0.964871 0.728478 Sn\n0.966969 0.964889 0.228481 Sn\n0.152677 0.786663 0.411856 H\n0.330287 0.143687 0.045198 H\n0.610942 0.786123 0.911820 H\n0.788501 0.143063 0.545055 H\n0.257015 0.193855 0.550343 H\n0.911886 0.193613 0.050294 H\n0.029401 0.736282 0.906689 H\n0.684142 0.735787 0.406603 H\n0.944386 0.867089 0.418850 C\n-0.003269 0.062592 0.538086 C\n0.041726 0.062728 0.038119 C\n0.899482 0.867124 0.918868 C\n0.327734 0.662814 0.138060 Cl\n0.629692 0.266964 0.318917 Cl\n0.311402 0.662779 0.638081 Cl\n0.613376 0.266962 0.818860 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"C",
"Cl"
],
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"density": 2.9786162012436916,
"density_atomic": 0.07416705901788925,
"volume": 242.6953453238366,
"volume_molar": 8.119697396316399,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.982981092777778,
"spacegroup": 15
},
{
"id": "jvasp-103995",
"created_at": "2022-09-04T14:36:45.050952Z",
"updated_at": "2022-09-04T14:36:45.050987Z",
"structure_string": "Sn2 H16 C8 Cl4\n1.0\n3.991139 -0.001482 0.003465\n0.001675 5.993984 0.782007\n-0.011835 -0.105332 13.383367\nSn H C Cl\n2 16 8 4\ndirect\n0.092592 0.160459 0.038815 Sn\n0.137482 0.660467 0.538814 Sn\n0.988766 0.542248 0.115856 H\n0.412896 0.456773 0.134463 H\n0.810123 0.270584 0.264114 H\n0.241009 0.042254 0.615879 H\n0.816914 0.956693 0.634457 H\n0.419671 0.770523 0.764130 H\n0.007547 0.668596 0.780166 H\n0.222232 0.168635 0.280166 H\n0.240937 0.278675 0.461742 H\n0.419681 0.550400 0.313497 H\n0.007569 0.652350 0.297447 H\n0.412846 0.864124 0.943166 H\n0.988698 0.778697 0.961759 H\n0.222256 0.152297 0.797460 H\n0.810133 0.050378 0.813499 H\n0.816867 0.364297 0.443154 H\n0.151731 0.403309 0.145505 C\n0.074734 0.318990 0.254872 C\n0.078097 0.903279 0.645512 C\n0.074737 0.001953 0.822750 C\n0.155070 0.501996 0.322741 C\n0.078066 0.417673 0.432106 C\n0.151698 0.917615 0.932117 C\n0.155066 0.818945 0.754879 C\n0.600678 0.429773 0.643168 Cl\n0.629166 0.391116 0.934454 Cl\n0.629188 0.929804 0.143171 Cl\n0.600649 0.891168 0.434452 Cl\n",
"nsites": 30,
"nelements": 4,
"elements": [
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],
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"density": 2.5462425733982155,
"density_atomic": 0.09360462975895555,
"volume": 320.4969676954443,
"volume_molar": 6.433592842050461,
"formula_full": "Sn2 H16 C8 Cl4",
"formula_reduced": "SnH8(C2Cl)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.736448655666667,
"spacegroup": 13
},
{
"id": "jvasp-112120",
"created_at": "2022-09-04T14:38:41.660279Z",
"updated_at": "2022-09-04T14:38:41.660304Z",
"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.382511 -0.003498 -0.365784\n-2.175407 5.612800 -1.495119\n-0.004159 0.044147 10.204196\nSn H C Cl\n2 8 4 4\ndirect\n0.002105 0.084060 0.276249 Sn\n0.044147 0.954256 0.759880 Sn\n0.803409 0.145389 0.588064 H\n0.055252 0.770974 0.970085 H\n0.991071 0.267353 0.066040 H\n0.242913 0.892955 0.448061 H\n0.362552 0.209604 0.523711 H\n0.681784 0.825047 0.947370 H\n0.364523 0.213262 0.088764 H\n0.683745 0.828739 0.512409 H\n0.888690 0.996995 0.558669 C\n0.157619 0.041341 0.477454 C\n0.948489 0.905064 0.962009 C\n0.097811 0.133249 0.074119 C\n0.592904 0.273070 0.836567 Cl\n0.267748 0.636453 0.686152 Cl\n0.778558 0.401886 0.349966 Cl\n0.453380 0.765244 0.199555 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
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"Cl"
],
"chemical_system": "C-Cl-H-Sn",
"density": 2.8772837890934935,
"density_atomic": 0.07164389843438379,
"volume": 251.24260953618523,
"volume_molar": 8.405657552981253,
"formula_full": "Sn2 H8 C4 Cl4",
"formula_reduced": "SnH4(CCl)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.983771092777778,
"spacegroup": 2
},
{
"id": "jvasp-112228",
"created_at": "2022-09-04T14:38:42.200195Z",
"updated_at": "2022-09-04T14:38:42.200228Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n5.151120 0.108020 0.995116\n0.838588 5.580411 2.409430\n0.234191 0.115353 6.130615\nSn H C F\n2 8 4 4\ndirect\n0.412881 0.342053 0.576878 Sn\n0.912882 0.823867 0.095064 Sn\n0.083147 0.393043 0.079799 H\n0.296203 0.775989 0.592060 H\n0.484300 0.593437 0.829953 H\n0.898101 0.568205 0.839214 H\n0.398135 0.086216 0.321201 H\n0.796265 0.839062 0.528967 H\n-0.015670 0.076975 0.346409 H\n0.583148 0.326829 0.146060 H\n0.315643 0.603916 0.747102 C\n0.063160 0.564042 0.923630 C\n0.563181 0.170640 0.317046 C\n0.815681 0.994116 0.356901 C\n0.209925 0.066813 0.856205 F\n0.543101 0.685810 0.229379 F\n0.709909 0.103250 0.819838 F\n0.043112 0.476381 0.438764 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.5448571578766366,
"density_atomic": 0.10398825179470016,
"volume": 173.09647666292804,
"volume_molar": 5.791174152912266,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.870025807222222,
"spacegroup": 9
},
{
"id": "jvasp-104002",
"created_at": "2022-09-04T14:36:51.255872Z",
"updated_at": "2022-09-04T14:36:51.255887Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.301360 0.113928 0.526829\n1.627895 5.544948 1.589978\n-0.090953 -0.138611 7.186864\nSn H C F\n2 8 4 4\ndirect\n0.577490 0.622511 0.459462 Sn\n0.077490 0.122512 0.959462 Sn\n0.168221 0.462753 0.115120 H\n0.536285 0.327916 0.255191 H\n0.904442 0.205187 0.377837 H\n0.798447 0.585980 0.991927 H\n0.668222 0.962754 0.615120 H\n0.404443 0.705187 0.877836 H\n0.036283 0.827916 0.755190 H\n0.298445 0.085982 0.491926 H\n0.758113 0.364730 0.278771 C\n0.942646 0.429856 0.094220 C\n0.442649 0.929855 0.594219 C\n0.258115 0.864731 0.778771 C\n0.192203 0.856288 0.217849 F\n0.132342 0.542930 0.531197 F\n0.692202 0.356288 0.717849 F\n0.632341 0.042930 0.031197 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.585004992929912,
"density_atomic": 0.1051659870304502,
"volume": 171.15799992242933,
"volume_molar": 5.7263198207385475,
"formula_full": "Sn2 H8 C4 F4",
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"spacegroup": 8
},
{
"id": "jvasp-104010",
"created_at": "2022-09-04T14:36:55.634023Z",
"updated_at": "2022-09-04T14:36:55.634053Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.639074 -0.126526 0.019742\n0.765175 6.263458 1.044732\n-0.352551 0.086430 13.710184\nSn H C F\n2 24 12 4\ndirect\n0.260777 0.258116 0.470932 Sn\n0.778902 0.332947 0.976214 Sn\n0.627616 0.372666 0.160161 H\n0.534086 0.613586 0.075866 H\n0.068814 0.680105 0.072760 H\n0.142198 0.459487 0.169428 H\n0.957860 0.169595 0.690500 H\n0.424116 0.333896 0.643024 H\n0.584319 0.079504 0.627605 H\n0.315999 0.749158 0.678535 H\n-0.004561 0.853337 0.609698 H\n0.044310 0.737608 0.837398 H\n0.723750 0.841757 0.768554 H\n0.249362 0.063352 0.773315 H\n0.820502 0.641991 0.279634 H\n0.711709 0.848656 0.178696 H\n0.970969 0.911067 0.374278 H\n0.897659 0.131720 0.277625 H\n0.505715 0.977602 0.371228 H\n0.081921 0.421312 0.756632 H\n0.412183 0.218588 0.286980 H\n0.790429 0.527508 0.673805 H\n0.615732 0.256991 0.804139 H\n0.455422 0.511402 0.819487 H\n0.328195 0.742573 0.268357 H\n0.219411 0.949248 0.167422 H\n0.109663 0.848051 0.681860 C\n0.974814 0.586184 0.136621 C\n0.377865 0.178218 0.626181 C\n0.165878 0.071630 0.696331 C\n0.710514 0.489418 0.102338 C\n0.930093 0.742869 0.765237 C\n0.873897 0.519272 0.750788 C\n0.065027 0.005015 0.310438 C\n0.145727 0.856625 0.236103 C\n0.661908 0.412712 0.820948 C\n0.329273 0.101770 0.344771 C\n0.894176 0.734602 0.210948 C\n0.229720 0.324510 0.974751 F\n0.253515 0.571880 0.444656 F\n0.809973 0.266598 0.472445 F\n0.786138 0.019187 0.002429 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
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"density": 2.0029845394374206,
"density_atomic": 0.105165133502906,
"volume": 399.37190778956625,
"volume_molar": 5.72636629594883,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
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"spacegroup": 2
},
{
"id": "jvasp-104008",
"created_at": "2022-09-04T14:36:48.977277Z",
"updated_at": "2022-09-04T14:36:48.977304Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.298146 -0.084899 0.184445\n1.841660 4.274635 0.420405\n-0.146680 0.136543 18.727665\nSn H C F\n2 24 12 4\ndirect\n0.064248 0.808992 0.528776 Sn\n0.201100 0.002520 0.024003 Sn\n0.523154 0.121310 0.906698 H\n0.087872 0.348805 0.906793 H\n0.014592 0.822797 0.879524 H\n0.434689 0.705779 0.851147 H\n0.369062 0.268852 0.422814 H\n0.851562 0.782706 0.400139 H\n0.132627 0.980064 0.392689 H\n0.118095 0.400177 0.301513 H\n0.559765 0.225203 0.296343 H\n0.146590 0.926233 0.274500 H\n0.587559 0.753419 0.269095 H\n0.626308 0.477620 0.401930 H\n0.267924 0.203365 0.766889 H\n0.856201 0.312160 0.800570 H\n0.459787 0.554922 0.728833 H\n0.434586 0.864183 0.665329 H\n0.985605 0.493349 0.649036 H\n0.090662 0.639510 0.172349 H\n0.407757 0.355832 0.618471 H\n0.530740 0.473256 0.163846 H\n0.558393 -0.000895 0.137363 H\n0.120581 0.179406 0.153326 H\n0.843523 0.810879 0.754238 H\n0.820245 0.119030 0.690102 H\n0.351608 0.437465 0.310629 C\n0.206195 0.912043 0.858916 C\n0.102240 0.766965 0.415176 C\n0.378583 0.474393 0.390743 C\n0.274263 0.109586 0.912317 C\n0.354889 0.713864 0.260519 C\n0.322765 0.679167 0.180763 C\n0.290052 0.730524 0.689673 C\n0.988366 0.944732 0.729654 C\n0.318758 0.968992 0.135660 C\n0.195673 0.562560 0.632999 C\n0.080226 0.109548 0.787761 C\n0.698578 0.251852 0.026914 F\n0.887517 0.276117 0.532945 F\n0.535030 0.904469 0.530667 F\n0.051485 0.632734 0.022034 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
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"C",
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],
"chemical_system": "C-F-H-Sn",
"density": 2.3057409408706793,
"density_atomic": 0.12106112108977514,
"volume": 346.93219112727456,
"volume_molar": 4.974463069389691,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036502965,
"spacegroup": 1
},
{
"id": "jvasp-112210",
"created_at": "2022-09-04T14:38:46.693204Z",
"updated_at": "2022-09-04T14:38:46.693238Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.425479 0.387200 -0.000134\n-0.283420 8.118629 -0.000122\n0.000451 -0.000177 10.097223\nSn H C F\n2 24 12 4\ndirect\n0.289723 0.725882 0.537765 Sn\n0.619899 0.580441 0.037782 Sn\n0.763922 0.547308 0.783452 H\n0.441670 0.433728 0.812561 H\n0.747348 0.198962 0.902782 H\n0.069335 0.314729 0.917251 H\n0.162484 0.107328 0.402743 H\n0.145899 0.758970 0.283420 H\n0.468155 0.872543 0.312568 H\n-0.174843 0.958824 0.168238 H\n0.133521 0.084049 0.153502 H\n0.633184 0.235499 0.116093 H\n0.521054 0.190203 0.278694 H\n0.840469 -0.008419 0.417209 H\n0.084695 0.347436 0.668275 H\n0.776330 0.222214 0.653542 H\n0.825671 0.927398 0.723052 H\n0.006922 -0.052005 0.877005 H\n0.470709 0.792490 0.785470 H\n0.084126 0.378889 0.222967 H\n0.148233 0.672279 0.789154 H\n0.902998 0.358262 0.376944 H\n0.761585 0.633979 0.289163 H\n0.439123 0.513763 0.285514 H\n0.276630 0.070749 0.616132 H\n0.388793 0.116061 0.778724 H\n-0.064063 0.061177 0.215922 C\n0.868948 0.297807 0.855144 C\n0.242090 0.850001 0.349359 C\n0.040869 0.008485 0.355104 C\n0.667702 0.456285 0.849383 C\n0.719724 0.213890 0.217797 C\n0.862252 0.368589 0.269551 C\n0.047580 0.937683 0.769605 C\n0.190105 0.092375 0.717840 C\n0.665754 0.525036 0.245445 C\n0.244036 0.781233 0.745443 C\n0.973904 0.245094 0.715965 C\n0.129342 0.592342 0.036608 F\n0.780361 0.714010 0.536600 F\n0.314254 0.484005 0.511921 F\n0.595319 0.822323 0.011958 F\n",
"nsites": 42,
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],
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"density": 2.1982936410441822,
"density_atomic": 0.11541968481890205,
"volume": 363.889401239482,
"volume_molar": 5.21760284603876,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
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},
{
"id": "jvasp-112188",
"created_at": "2022-09-04T14:38:44.075492Z",
"updated_at": "2022-09-04T14:38:44.075518Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n5.151551 0.109811 0.992722\n0.837325 5.580919 2.408254\n0.236630 0.115782 6.130293\nSn H C F\n2 8 4 4\ndirect\n0.444353 0.531875 0.525746 Sn\n0.944362 0.050058 0.007564 Sn\n0.959096 0.305815 0.263373 H\n0.372913 0.280525 0.272648 H\n0.561024 0.097970 0.510533 H\n0.774019 0.480861 0.022770 H\n0.273974 0.547088 0.956525 H\n0.872892 0.797020 0.756153 H\n0.061037 0.034901 0.573658 H\n0.459073 0.787683 0.781496 H\n0.541575 0.270035 0.355499 C\n0.794045 0.309910 0.178975 C\n0.294017 0.703296 0.785579 C\n0.041563 0.879843 0.745700 C\n0.147556 0.770734 0.282667 F\n0.814077 0.397505 0.663906 F\n0.647533 0.807019 0.246475 F\n0.314098 0.188197 0.873198 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.544866092218413,
"density_atomic": 0.10398851388328115,
"volume": 173.09604039734208,
"volume_molar": 5.791159557063558,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
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"spacegroup": 9
},
{
"id": "jvasp-112227",
"created_at": "2022-09-04T14:38:43.910889Z",
"updated_at": "2022-09-04T14:38:43.910916Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.262258 -0.117672 0.404784\n1.931454 4.222130 0.203370\n0.010662 -0.082455 9.454008\nSn H C F\n2 8 4 4\ndirect\n0.799270 0.229715 0.889251 Sn\n0.065823 0.736088 0.385387 Sn\n0.538261 0.139624 0.143650 H\n0.326773 0.826204 0.130974 H\n0.056442 0.626331 0.113088 H\n0.808574 0.339514 0.161547 H\n0.163561 0.166667 0.641568 H\n0.701344 0.799236 0.633028 H\n0.142138 0.631177 0.659827 H\n0.722738 0.334688 0.614828 H\n0.922223 0.137717 0.662465 C\n0.794722 0.132669 0.115401 C\n0.070315 0.833161 0.159236 C\n0.942713 0.828150 0.612164 C\n0.254830 0.255832 0.382080 F\n0.264002 0.338152 0.887524 F\n0.610279 0.709958 0.892580 F\n0.601078 0.627613 0.387116 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 3.56186949836079,
"density_atomic": 0.10448730816484258,
"volume": 172.26972649733318,
"volume_molar": 5.763514120298013,
"formula_full": "Sn2 H8 C4 F4",
"formula_reduced": "SnH4(CF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.870968029444444,
"spacegroup": 2
},
{
"id": "jvasp-112229",
"created_at": "2022-09-04T14:38:47.096501Z",
"updated_at": "2022-09-04T14:38:47.096531Z",
"structure_string": "Sn2 H24 C12 F4\n1.0\n4.315193 0.023491 -0.170052\n-1.674441 4.316298 -0.420864\n-0.307325 -0.007545 18.768178\nSn H C F\n2 24 12 4\ndirect\n0.409675 0.803358 0.471347 Sn\n0.980377 0.807029 0.962030 Sn\n0.036646 0.516338 0.072399 H\n0.724720 0.677027 0.087815 H\n0.145659 0.187259 0.131784 H\n0.471192 0.082954 0.099262 H\n0.836617 0.750143 0.610788 H\n0.778067 0.244240 0.567653 H\n0.366297 0.117826 0.593599 H\n0.679961 0.190083 0.722378 H\n0.060370 0.262927 0.684467 H\n0.096688 0.778102 0.735644 H\n0.149122 0.098708 0.798606 H\n0.448965 0.669723 0.645998 H\n0.398313 0.700071 0.187595 H\n0.057585 0.782375 0.218889 H\n0.820591 0.227354 0.353606 H\n0.762822 0.867782 0.304541 H\n0.192122 0.018903 0.367485 H\n0.500244 0.545269 0.762252 H\n0.183443 0.646881 0.334332 H\n0.557052 0.864118 0.825563 H\n0.005274 0.478348 0.840634 H\n0.603766 0.355588 0.871921 H\n0.762933 0.264923 0.224323 H\n0.424053 0.319400 0.264600 H\n0.845455 0.076707 0.700849 C\n0.234092 -0.007327 0.123530 C\n0.566835 0.040044 0.577600 C\n0.668676 0.859462 0.632865 C\n0.979766 0.728796 0.073216 C\n0.965185 0.921114 0.759849 C\n0.686980 0.721508 0.800872 C\n0.638404 0.030424 0.319290 C\n0.536771 0.145204 0.250339 C\n0.806191 0.556117 0.857338 C\n0.343292 0.874952 0.360824 C\n0.297031 0.886495 0.196379 C\n0.505696 0.900175 0.962414 F\n0.871503 0.708772 0.468859 F\n0.232978 0.343503 0.478488 F\n0.146915 0.269670 0.958255 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"F"
],
"chemical_system": "C-F-H-Sn",
"density": 2.285076804352849,
"density_atomic": 0.11997616679640338,
"volume": 350.0695273193131,
"volume_molar": 5.019447545960879,
"formula_full": "Sn2 H24 C12 F4",
"formula_reduced": "SnH12(C3F)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 4.036221536428572,
"spacegroup": 1
}
]
}