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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1239",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1237",
"results": [
{
"id": "jvasp-58912",
"created_at": "2022-09-04T14:37:02.701674Z",
"updated_at": "2022-09-04T14:37:02.701693Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.289175 -0.121491 2.234965\n1.709700 8.111851 2.234965\n-0.116474 -0.093078 8.592851\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Sb\n0.706324 0.706323 0.706505 S\n0.293677 0.293676 0.293496 S\n0.968131 0.968130 0.293210 Cl\n0.653425 0.653424 0.953432 Cl\n0.346576 0.346576 0.046568 Cl\n0.046567 0.346385 0.346242 Cl\n0.653615 0.953433 0.653759 Cl\n0.953434 0.653615 0.653759 Cl\n0.346386 0.046567 0.346242 Cl\n0.685564 0.685564 0.358831 Cl\n0.314437 0.314436 0.641170 Cl\n0.358338 0.685253 0.685421 Cl\n0.641663 0.314747 0.314580 Cl\n0.685254 0.358337 0.685421 Cl\n0.968351 0.293389 0.968393 Cl\n0.706611 0.031650 0.031607 Cl\n0.031650 0.706610 0.031607 Cl\n0.293390 0.968349 0.968394 Cl\n0.031870 0.031870 0.706791 Cl\n0.314747 0.641662 0.314580 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.6935092761881094,
"density_atomic": 0.03773035683015433,
"volume": 583.0848645040502,
"volume_molar": 15.960996041222353,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4429802461363634,
"spacegroup": 166
},
{
"id": "jvasp-13425",
"created_at": "2022-09-04T14:36:41.226738Z",
"updated_at": "2022-09-04T14:36:41.226772Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n8.290076 -0.121868 2.234658\n1.709531 8.112812 2.234658\n-0.116956 -0.093463 8.593405\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.706418 0.706418 0.706590 S\n0.293582 0.293582 0.293411 S\n0.968146 0.968146 0.293170 Cl\n0.653538 0.653539 0.953485 Cl\n0.346462 0.346461 0.046516 Cl\n0.046511 0.346277 0.346148 Cl\n0.653723 0.953488 0.653853 Cl\n0.953489 0.653723 0.653853 Cl\n0.346277 0.046511 0.346148 Cl\n0.685543 0.685543 0.358880 Cl\n0.314457 0.314457 0.641121 Cl\n0.358394 0.685233 0.685404 Cl\n0.641605 0.314767 0.314597 Cl\n0.685233 0.358395 0.685404 Cl\n0.968359 0.293347 0.968397 Cl\n0.706653 0.031641 0.031604 Cl\n0.031641 0.706653 0.031604 Cl\n0.293347 0.968359 0.968397 Cl\n0.031854 0.031854 0.706831 Cl\n0.314767 0.641605 0.314597 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.692638259482217,
"density_atomic": 0.03771815573197773,
"volume": 583.2734812468108,
"volume_molar": 15.966159116561432,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4429702461363634,
"spacegroup": 166
},
{
"id": "jvasp-24901",
"created_at": "2022-09-04T14:37:43.575146Z",
"updated_at": "2022-09-04T14:37:43.575177Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n7.054386 -0.005294 -1.919556\n-3.361993 6.487411 -0.244130\n-0.073651 -0.021869 13.751012\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.565827 0.150494 0.716320 S\n0.434174 0.849507 0.283680 S\n0.172936 0.794870 0.967807 Cl\n0.891640 0.701235 0.592873 Cl\n0.148111 0.036970 0.185080 Cl\n0.827065 0.205130 0.032193 Cl\n0.384352 0.211870 0.596222 Cl\n0.772368 0.431132 0.802215 Cl\n0.366333 0.687910 0.612857 Cl\n0.693161 0.693161 -0.000000 Cl\n0.615649 0.788131 0.403778 Cl\n0.306840 0.306840 -0.000000 Cl\n0.108362 0.298765 0.407127 Cl\n0.075052 0.753475 0.387142 Cl\n0.628918 0.970152 0.197784 Cl\n0.924950 0.246526 0.612857 Cl\n0.633668 0.312090 0.387142 Cl\n0.227633 0.568868 0.197785 Cl\n0.371084 0.029848 0.802215 Cl\n0.851891 0.963031 0.814920 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.500985904168669,
"density_atomic": 0.03503351238686429,
"volume": 627.9701491834667,
"volume_molar": 17.189657415731975,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4434647915909088,
"spacegroup": 12
},
{
"id": "jvasp-97448",
"created_at": "2022-09-04T14:36:14.398992Z",
"updated_at": "2022-09-04T14:36:14.399028Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n8.038151 0.000000 0.000000\n0.000000 9.036977 0.000000\n0.000000 0.000000 12.546583\nSb S Br F\n4 4 12 24\ndirect\n0.313699 0.965518 0.185355 Sb\n0.686301 0.465518 0.314645 Sb\n0.186301 0.034483 0.685355 Sb\n0.813699 0.534483 0.814645 Sb\n0.644629 0.024956 0.476025 S\n0.355371 0.524956 0.023975 S\n0.144629 0.475045 0.523975 S\n0.855371 0.975045 0.976024 S\n0.208996 0.315360 0.399089 Br\n0.708996 0.184640 0.600910 Br\n0.640395 0.813041 0.562250 Br\n0.791004 0.815360 0.100910 Br\n0.133188 0.503558 0.127549 Br\n0.859605 0.186960 0.062250 Br\n0.866812 0.003558 0.372451 Br\n0.633188 0.996443 0.872451 Br\n0.140395 0.686960 0.437750 Br\n0.366812 0.496442 0.627549 Br\n0.291004 0.684640 0.899089 Br\n0.359605 0.313041 0.937750 Br\n0.220216 0.155345 0.222906 F\n0.302230 0.027851 0.551325 F\n0.900720 0.726375 0.850937 F\n0.400720 0.773626 0.149063 F\n0.619663 0.625178 0.750470 F\n0.802230 0.472149 0.448674 F\n0.002009 0.437720 0.875965 F\n0.697770 0.527851 0.948674 F\n0.497991 0.562280 0.375965 F\n0.119663 0.874822 0.249530 F\n0.921748 0.548090 0.678793 F\n0.720216 0.344655 0.777094 F\n0.880337 0.374822 0.250470 F\n0.197770 0.972150 0.051326 F\n0.779783 0.655345 0.277094 F\n0.421748 0.951911 0.321207 F\n0.279784 0.844655 0.722906 F\n0.099280 0.226375 0.649062 F\n0.599280 0.273625 0.350937 F\n0.380337 0.125178 0.749530 F\n0.078252 0.048089 0.821207 F\n0.578251 0.451911 0.178793 F\n-0.002009 0.937720 0.624035 F\n0.502009 0.062280 0.124035 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"S",
"Br",
"F"
],
"chemical_system": "Br-F-S-Sb",
"density": 3.698825112613739,
"density_atomic": 0.04827784490806591,
"volume": 911.3911377731943,
"volume_molar": 12.473922088833474,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.1229509190909092,
"spacegroup": 19
},
{
"id": "jvasp-98245",
"created_at": "2022-09-04T14:36:11.670833Z",
"updated_at": "2022-09-04T14:36:11.670850Z",
"structure_string": "Sb4 S4 Br12 F24\n1.0\n7.852883 0.000000 -1.134879\n0.000000 9.421543 0.000000\n-0.163337 0.000000 12.305734\nSb S Br F\n4 4 12 24\ndirect\n0.198966 0.270113 0.569104 Sb\n0.198966 0.229887 0.069104 Sb\n0.801033 0.770113 0.930895 Sb\n0.801033 0.729887 0.430896 Sb\n0.200331 0.805586 0.207992 S\n0.200331 0.694413 0.707991 S\n0.799668 0.194413 0.792008 S\n0.799668 0.305586 0.292008 S\n0.425827 0.687327 0.622703 Br\n0.726672 0.060176 0.645205 Br\n0.795352 0.088505 0.228410 Br\n0.795352 0.411495 0.728410 Br\n0.574172 0.312673 0.377296 Br\n0.204647 0.911495 0.771590 Br\n0.273327 0.939824 0.354795 Br\n0.204647 0.588505 0.271590 Br\n0.574172 0.187327 0.877296 Br\n0.726673 0.439824 0.145205 Br\n0.425828 0.812673 0.122703 Br\n0.273327 0.560176 0.854794 Br\n0.135589 0.295055 0.205338 F\n-0.016508 0.206180 0.491365 F\n0.105459 0.046963 0.094198 F\n0.016507 0.793820 0.508635 F\n-0.016508 0.293820 0.991365 F\n0.864411 0.704945 0.794661 F\n0.701412 0.911849 0.455488 F\n0.582660 0.669310 0.356874 F\n0.258559 0.161450 0.932095 F\n0.864411 0.795055 0.294661 F\n0.417339 0.330690 0.643126 F\n0.417339 0.169310 0.143126 F\n0.701412 0.588151 0.955488 F\n0.741440 0.661450 0.567904 F\n0.582660 0.830690 0.856873 F\n0.298588 0.411849 0.044512 F\n0.298588 0.088151 0.544512 F\n0.016507 0.706180 0.008635 F\n0.741440 0.838549 0.067904 F\n0.894541 0.546963 0.405802 F\n0.105459 0.453037 0.594198 F\n0.894540 0.953037 0.905802 F\n0.258559 0.338549 0.432095 F\n0.135588 0.204945 0.705338 F\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Sb",
"S",
"Br",
"F"
],
"chemical_system": "Br-F-S-Sb",
"density": 3.709742664030701,
"density_atomic": 0.04842034309006605,
"volume": 908.7089680086772,
"volume_molar": 12.437212080051344,
"formula_full": "Sb4 S4 Br12 F24",
"formula_reduced": "SbS(BrF2)3",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 0.1226554645454546,
"spacegroup": 14
},
{
"id": "jvasp-5191",
"created_at": "2022-09-04T14:35:46.021432Z",
"updated_at": "2022-09-04T14:35:46.021464Z",
"structure_string": "Sb4 S4 Br4\n1.0\n3.982502 0.000000 0.000000\n0.000000 8.326936 0.000000\n0.000000 0.000000 9.850393\nSb S Br\n4 4 4\ndirect\n0.262108 0.622941 0.366988 Sb\n0.762107 0.377059 0.633012 Sb\n0.762107 0.877059 0.866988 Sb\n0.262108 0.122941 0.133012 Sb\n0.762050 0.663166 0.547551 S\n0.762050 0.163166 0.952449 S\n0.262050 0.836834 0.047551 S\n0.262050 0.336834 0.452449 S\n0.762042 0.486599 0.175483 Br\n0.762042 0.986599 0.324517 Br\n0.262042 0.013402 0.675483 Br\n0.262042 0.513402 0.824517 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"Br"
],
"chemical_system": "Br-S-Sb",
"density": 4.752552275985762,
"density_atomic": 0.03673554259651384,
"volume": 326.6591195290739,
"volume_molar": 16.393226652847897,
"formula_full": "Sb4 S4 Br4",
"formula_reduced": "SbSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8443200683333335,
"spacegroup": 62
},
{
"id": "jvasp-88671",
"created_at": "2022-09-04T14:35:42.382533Z",
"updated_at": "2022-09-04T14:35:42.382561Z",
"structure_string": "Sb1 S24 I3\n1.0\n12.651052 -0.040629 -7.010257\n-11.892353 4.315404 -7.010257\n-0.007211 -0.040629 14.463498\nSb S I\n1 24 3\ndirect\n0.348071 0.348071 0.348071 Sb\n0.443014 0.168783 0.443014 S\n0.761061 0.625495 0.373802 S\n0.625495 0.373802 0.761061 S\n0.373802 0.761061 0.625495 S\n0.373802 0.625495 0.761061 S\n0.625495 0.761061 0.373802 S\n0.761061 0.373802 0.625495 S\n0.616645 0.424839 0.081307 S\n0.424839 0.081308 0.616646 S\n0.081307 0.616645 0.424839 S\n0.081308 0.424839 0.616645 S\n0.424839 0.616645 0.081307 S\n0.616646 0.081308 0.424839 S\n0.867909 0.734526 0.248765 S\n0.734526 0.248766 0.867909 S\n0.248766 0.867909 0.734526 S\n0.248766 0.734526 0.867909 S\n0.734526 0.867909 0.248765 S\n0.867909 0.248766 0.734526 S\n-0.016494 0.585844 0.585844 S\n0.585844 0.585844 -0.016495 S\n0.585845 -0.016494 0.585845 S\n0.443014 0.443014 0.168783 S\n0.168783 0.443014 0.443014 S\n0.118173 0.951064 0.951064 I\n0.951064 0.951064 0.118173 I\n0.951065 0.118173 0.951065 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 2.723997586925803,
"density_atomic": 0.036109139091953714,
"volume": 775.4269612658616,
"volume_molar": 16.677608249436023,
"formula_full": "Sb1 S24 I3",
"formula_reduced": "Sb(S8I)3",
"formula_anonymous": "AB3C24",
"energy_above_hull": 2.110995175892857,
"spacegroup": 160
},
{
"id": "jvasp-5446",
"created_at": "2022-09-04T14:38:03.665880Z",
"updated_at": "2022-09-04T14:38:03.665907Z",
"structure_string": "Sb2 S16 Cl6\n1.0\n8.067086 -0.153858 0.024194\n-3.052966 7.976211 0.175391\n-3.261653 -2.143705 9.827920\nSb S Cl\n2 16 6\ndirect\n0.811920 0.076941 0.845582 Sb\n0.188080 0.923058 0.154417 Sb\n0.161734 0.236182 0.649668 S\n0.838266 0.763817 0.350332 S\n0.348226 0.490025 0.740962 S\n0.651774 0.509974 0.259038 S\n0.288951 0.549401 0.909669 S\n0.711049 0.450598 0.090331 S\n0.885477 0.319471 0.140594 S\n0.114523 0.680528 0.859406 S\n0.936526 0.235562 0.490840 S\n0.291449 0.802779 0.443634 S\n0.708551 0.197220 0.556366 S\n0.299312 0.568976 0.389480 S\n0.700688 0.431023 0.610520 S\n0.166711 0.493591 0.182267 S\n0.833289 0.506408 0.817733 S\n0.063474 0.764437 0.509160 S\n0.756280 0.846627 0.670866 Cl\n0.484023 0.038892 0.792723 Cl\n0.515977 0.961107 0.207277 Cl\n0.772770 0.880086 0.006740 Cl\n0.227230 0.119913 -0.006740 Cl\n0.243720 0.153372 0.329133 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.5480543263995,
"density_atomic": 0.0379946520763065,
"volume": 631.6678450377606,
"volume_molar": 15.849969484930257,
"formula_full": "Sb2 S16 Cl6",
"formula_reduced": "SbS8Cl3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.709259858541667,
"spacegroup": 2
},
{
"id": "jvasp-97861",
"created_at": "2022-09-04T14:38:17.803099Z",
"updated_at": "2022-09-04T14:38:17.803127Z",
"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Sb",
"S",
"I",
"F"
],
"chemical_system": "F-I-S-Sb",
"density": 3.040704365641981,
"density_atomic": 0.04678395827411979,
"volume": 1282.4908839146074,
"volume_molar": 12.872234377250974,
"formula_full": "Sb4 S28 I4 F24",
"formula_reduced": "SbS7IF6",
"formula_anonymous": "ABC6D7",
"energy_above_hull": 1.0564976046666668,
"spacegroup": 19
},
{
"id": "jvasp-91627",
"created_at": "2022-09-04T14:36:19.125456Z",
"updated_at": "2022-09-04T14:36:19.125484Z",
"structure_string": "Sb1 S4 N3\n1.0\n-3.045658 -3.045658 3.045658\n-3.045658 3.045658 -3.045658\n3.045658 -3.045658 -3.045658\nSb S N\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500056 0.000000 0.000000 S\n0.000000 0.500056 0.000000 S\n0.000000 0.000000 0.500056 S\n0.499945 0.499945 0.499945 S\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"N"
],
"chemical_system": "N-S-Sb",
"density": 4.291293230058788,
"density_atomic": 0.07079239291530114,
"volume": 113.00649223104412,
"volume_molar": 8.506762537614927,
"formula_full": "Sb1 S4 N3",
"formula_reduced": "SbS4N3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.84474698125,
"spacegroup": 229
},
{
"id": "jvasp-10970",
"created_at": "2022-09-04T14:37:18.117913Z",
"updated_at": "2022-09-04T14:37:18.117944Z",
"structure_string": "Sb1 S2 N1 F6\n1.0\n5.300394 0.000578 0.045173\n0.031602 5.394549 2.162951\n0.001087 0.045298 5.811924\nSb S N F\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.373466 0.638547 0.638546 S\n0.626534 0.361453 0.361452 S\n0.500000 0.500000 0.499999 N\n0.300402 0.109635 0.109635 F\n0.699598 0.890366 0.890364 F\n0.857732 0.328283 0.908573 F\n0.142268 0.091426 0.671717 F\n0.142268 0.671718 0.091426 F\n0.857731 0.908575 0.328281 F\n",
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"elements": [
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],
"chemical_system": "F-N-S-Sb",
"density": 3.1462951872557468,
"density_atomic": 0.06036384208757457,
"volume": 165.66208601321657,
"volume_molar": 9.976404005668174,
"formula_full": "Sb1 S2 N1 F6",
"formula_reduced": "SbS2NF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 12
},
{
"id": "jvasp-32441",
"created_at": "2022-09-04T14:36:39.470788Z",
"updated_at": "2022-09-04T14:36:39.470809Z",
"structure_string": "Sb1 S2 N1 Cl6\n1.0\n6.087097 -0.000000 3.512825\n2.590431 5.991066 2.541585\n0.014937 -0.016331 7.004453\nSb S N Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.688623 0.311377 S\n0.500000 0.311378 0.688622 S\n0.500000 0.500000 0.499999 N\n0.937313 0.815257 0.815255 Cl\n-0.000000 0.696008 0.303992 Cl\n0.567826 0.184744 0.184744 Cl\n0.000000 0.303993 0.696007 Cl\n0.062688 0.184744 0.184744 Cl\n0.432175 0.815257 0.815255 Cl\n",
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"elements": [
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],
"chemical_system": "Cl-N-S-Sb",
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"density_atomic": 0.039180426726321695,
"volume": 255.2294815431892,
"volume_molar": 15.370278639549072,
"formula_full": "Sb1 S2 N1 Cl6",
"formula_reduced": "SbS2NCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2988223755000003,
"spacegroup": 71
}
]
}