{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4399","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4397","results":[{"id":"jvasp-29486","created_at":"2022-09-04T14:37:33.948720Z","updated_at":"2022-09-04T14:37:33.948741Z","structure_string":"Ge4 Pb8 S16\n1.0\n7.502515 0.000000 -2.621939\n0.000000 9.215873 0.000000\n0.078676 0.000000 10.572254\nGe Pb S\n4 8 16\ndirect\n0.706613 0.811840 0.994449 Ge\n0.793388 0.311840 0.505551 Ge\n0.293388 0.188160 0.005551 Ge\n0.206613 0.688159 0.494449 Ge\n0.800462 0.168568 0.840808 Pb\n0.247904 0.057392 0.648630 Pb\n0.747904 0.442607 0.148631 Pb\n0.752097 0.942607 0.351369 Pb\n0.199540 0.831432 0.159192 Pb\n0.300461 0.331432 0.340808 Pb\n0.252097 0.557392 0.851369 Pb\n0.699540 0.668567 0.659191 Pb\n0.372089 0.512695 0.624486 S\n0.568192 0.906307 0.793105 S\n0.866549 0.634185 0.946041 S\n0.133452 0.365815 0.053959 S\n0.931810 0.406307 0.706895 S\n0.872089 0.987304 0.124487 S\n0.461541 0.298632 0.899501 S\n0.431809 0.093693 0.206895 S\n0.038460 0.798632 0.600498 S\n0.538460 0.701368 0.100498 S\n0.366548 0.865815 0.446041 S\n0.127912 0.012695 0.875513 S\n0.627912 0.487304 0.375513 S\n0.961541 0.201368 0.399502 S\n0.068192 0.593692 0.293105 S\n0.633453 0.134185 0.553959 S\n","nsites":28,"nelements":3,"elements":["Ge","Pb","S"],"chemical_system":"Ge-Pb-S","density":5.576440308416066,"density_atomic":0.038204901579777725,"volume":732.8902534019537,"volume_molar":15.762743812923693,"formula_full":"Ge4 Pb8 S16","formula_reduced":"Ge(PbS2)2","formula_anonymous":"AB2C4","energy_above_hull":1.3706267985714289,"spacegroup":14},{"id":"jvasp-52417","created_at":"2022-09-04T14:37:42.822341Z","updated_at":"2022-09-04T14:37:42.822365Z","structure_string":"Ca2 H8 Se4 O14\n1.0\n6.723858 0.011484 -0.005573\n0.204415 6.953887 0.012474\n0.120087 2.325319 7.009852\nCa H Se O\n2 8 4 14\ndirect\n0.120561 0.771992 0.925098 Ca\n0.879441 0.228008 0.074901 Ca\n0.531278 0.761855 0.725691 H\n0.468724 0.238146 0.274309 H\n0.010890 0.539381 0.658865 H\n0.989111 0.460619 0.341135 H\n0.706490 0.790844 0.478039 H\n0.293511 0.209156 0.521961 H\n0.668628 0.567405 0.611310 H\n0.331373 0.432595 0.388690 H\n0.141104 0.819884 0.401396 Se\n0.858898 0.180116 0.598604 Se\n0.649571 0.748435 0.035710 Se\n0.350430 0.251565 0.964289 Se\n0.600866 0.702725 0.556800 O\n0.789700 0.959175 0.954696 O\n0.210302 0.040825 0.045303 O\n0.807634 0.585231 0.975430 O\n0.192367 0.414769 0.024570 O\n0.468794 0.794757 0.845368 O\n0.531207 0.205243 0.154631 O\n0.094451 0.080321 0.648509 O\n0.905550 0.919679 0.351490 O\n0.151173 0.639216 0.286014 O\n0.848829 0.360784 0.713986 O\n0.110219 0.651589 0.645413 O\n0.889782 0.348412 0.354586 O\n0.399136 0.297275 0.443200 O\n","nsites":28,"nelements":4,"elements":["Ca","H","Se","O"],"chemical_system":"Ca-H-O-Se","density":3.183953530997621,"density_atomic":0.08548317812419491,"volume":327.5498245902835,"volume_molar":7.044825534271417,"formula_full":"Ca2 H8 Se4 O14","formula_reduced":"CaH4Se2O7","formula_anonymous":"AB2C4D7","energy_above_hull":2.5097051180952383,"spacegroup":2},{"id":"jvasp-12798","created_at":"2022-09-04T14:37:56.402555Z","updated_at":"2022-09-04T14:37:56.402577Z","structure_string":"Na12 Ga4 S12\n1.0\n6.907935 0.000000 0.000000\n0.000000 7.166408 -0.099427\n0.000000 -0.028362 12.704434\nNa Ga S\n12 4 12\ndirect\n0.463462 0.724229 0.790189 Na\n0.963462 0.775772 0.709810 Na\n0.536539 0.275772 0.209811 Na\n0.036539 0.224229 0.290189 Na\n0.503351 0.338226 0.610369 Na\n0.003350 0.161775 0.889631 Na\n0.496650 0.661775 0.389631 Na\n0.996651 0.838226 0.110369 Na\n0.502650 0.209742 0.898813 Na\n0.002650 0.290258 0.601186 Na\n0.497351 0.790258 0.101186 Na\n0.997351 0.709742 0.398814 Na\n0.357738 0.913899 0.583693 Ga\n0.642263 0.086102 0.416306 Ga\n0.142262 0.413899 0.083693 Ga\n0.857738 0.586102 0.916306 Ga\n0.742975 0.879885 0.926548 S\n0.699310 0.924157 0.570023 S\n0.199310 0.575844 0.929976 S\n0.300691 0.075844 0.429976 S\n0.800691 0.424156 0.070024 S\n0.257429 0.071742 0.728706 S\n0.757430 0.428258 0.771294 S\n0.742571 0.928258 0.271294 S\n0.242571 0.571742 0.228706 S\n0.257026 0.120116 0.073451 S\n0.757026 0.379884 0.426549 S\n0.242975 0.620116 0.573451 S\n","nsites":28,"nelements":3,"elements":["Na","Ga","S"],"chemical_system":"Ga-Na-S","density":2.480715709851557,"density_atomic":0.04452115158102043,"volume":628.9145497291344,"volume_molar":13.526471230288811,"formula_full":"Na12 Ga4 S12","formula_reduced":"Na3GaS3","formula_anonymous":"AB3C3","energy_above_hull":0.3460141892857143,"spacegroup":14},{"id":"jvasp-40594","created_at":"2022-09-04T14:37:56.325315Z","updated_at":"2022-09-04T14:37:56.325336Z","structure_string":"Rb4 Ba4 Ta4 S16\n1.0\n7.042254 0.000000 0.000000\n0.000000 9.396972 0.000000\n0.000000 0.000000 12.512297\nRb Ba Ta S\n4 4 4 16\ndirect\n0.750000 0.636659 0.090488 Rb\n0.250000 0.863341 0.590489 Rb\n0.750000 0.136659 0.409512 Rb\n0.250000 0.363341 0.909512 Rb\n0.750000 0.978589 0.825485 Ba\n0.250000 0.521410 0.325485 Ba\n0.750000 0.478590 0.674515 Ba\n0.250000 0.021410 0.174515 Ba\n0.250000 0.268795 0.578803 Ta\n0.750000 0.231205 0.078803 Ta\n0.250000 0.768795 0.921197 Ta\n0.750000 0.731205 0.421197 Ta\n0.489700 0.318879 0.162179 S\n0.510300 0.181121 0.662179 S\n0.989699 0.181121 0.662179 S\n0.010300 0.318879 0.162179 S\n0.510300 0.681120 0.837821 S\n0.489700 0.818879 0.337821 S\n0.250000 0.011825 0.912711 S\n0.250000 0.693639 0.094638 S\n0.250000 0.511825 0.587290 S\n0.750000 0.988175 0.087290 S\n0.250000 0.193639 0.405362 S\n0.750000 0.306361 0.905362 S\n0.989699 0.681120 0.837821 S\n0.750000 0.806361 0.594638 S\n0.750000 0.488175 0.412711 S\n0.010300 0.818879 0.337821 S\n","nsites":28,"nelements":4,"elements":["Rb","Ba","Ta","S"],"chemical_system":"Ba-Rb-S-Ta","density":4.267624958871265,"density_atomic":0.0338159325728686,"volume":828.0120602814641,"volume_molar":17.808589921402078,"formula_full":"Rb4 Ba4 Ta4 S16","formula_reduced":"RbBaTaS4","formula_anonymous":"ABCD4","energy_above_hull":1.9049335957142857,"spacegroup":62},{"id":"jvasp-22208","created_at":"2022-09-04T14:37:35.273072Z","updated_at":"2022-09-04T14:37:35.273089Z","structure_string":"Mn12 W12 C4\n1.0\n6.809264 -0.000000 3.931330\n2.269755 6.419836 3.931330\n-0.000000 0.000000 7.862660\nMn W C\n12 12 4\ndirect\n0.499999 0.500000 0.000000 Mn\n0.297045 0.608863 0.297046 Mn\n0.499999 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.297045 0.297046 0.297046 Mn\n0.702954 0.702955 0.391137 Mn\n0.391136 0.702955 0.702955 Mn\n0.702954 0.391137 0.702955 Mn\n0.608862 0.297046 0.297046 Mn\n0.297045 0.297046 0.608863 Mn\n0.500000 0.000000 0.500000 Mn\n0.702954 0.702955 0.702955 Mn\n0.676378 0.676379 0.073622 W\n0.073621 0.676379 0.676379 W\n0.323620 0.926379 0.926379 W\n0.926378 0.323622 0.323622 W\n0.926377 0.926379 0.323622 W\n0.676378 0.073621 0.676379 W\n0.073621 0.073621 0.676379 W\n0.323621 0.323622 0.926379 W\n0.323620 0.926379 0.323622 W\n0.926378 0.323622 0.926379 W\n0.676378 0.073621 0.073622 W\n0.073621 0.676379 0.073621 W\n0.000000 0.000000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n-0.000000 0.500000 0.000000 C\n","nsites":28,"nelements":3,"elements":["Mn","W","C"],"chemical_system":"C-Mn-W","density":14.075133775250888,"density_atomic":0.08146375581530443,"volume":343.71113533584094,"volume_molar":7.392417277756587,"formula_full":"Mn12 W12 C4","formula_reduced":"Mn3W3C","formula_anonymous":"AB3C3","energy_above_hull":6.936011674876847,"spacegroup":227},{"id":"jvasp-21003","created_at":"2022-09-04T14:37:42.590232Z","updated_at":"2022-09-04T14:37:42.590251Z","structure_string":"Li8 S4 O16\n1.0\n0.000000 8.162108 0.023173\n4.973058 0.000000 0.000000\n0.000000 -2.560210 -7.997971\nLi S O\n8 4 16\ndirect\n0.058235 0.921409 0.870341 Li\n0.441765 0.421409 0.129659 Li\n0.941765 0.078591 0.129660 Li\n0.558235 0.578591 0.870341 Li\n0.294008 0.927385 0.618540 Li\n0.205992 0.427385 0.381461 Li\n0.705992 0.072615 0.381461 Li\n0.794008 0.572615 0.618540 Li\n0.318305 0.932570 0.252185 S\n0.681696 0.067430 0.747816 S\n0.818305 0.567430 0.252185 S\n0.181695 0.432570 0.747815 S\n0.166829 0.984591 0.104208 O\n0.333171 0.484591 0.895793 O\n0.028382 0.562800 0.773249 O\n0.833171 0.015409 0.895793 O\n0.471618 0.062800 0.226751 O\n0.971618 0.437200 0.226751 O\n0.150598 0.139743 0.721647 O\n0.782078 0.448202 0.400381 O\n0.849402 0.860257 0.278353 O\n0.650598 0.360257 0.721647 O\n0.349402 0.639743 0.278353 O\n0.282078 0.051798 0.400381 O\n0.666829 0.515410 0.104208 O\n0.217922 0.551799 0.599619 O\n0.528382 0.937201 0.773249 O\n0.717922 0.948202 0.599619 O\n","nsites":28,"nelements":3,"elements":["Li","S","O"],"chemical_system":"Li-O-S","density":2.2515011798618043,"density_atomic":0.08632711312591669,"volume":324.3476931651729,"volume_molar":6.975955226507005,"formula_full":"Li8 S4 O16","formula_reduced":"Li2SO4","formula_anonymous":"AB2C4","energy_above_hull":1.819582,"spacegroup":14},{"id":"jvasp-23114","created_at":"2022-09-04T14:37:34.460319Z","updated_at":"2022-09-04T14:37:34.460345Z","structure_string":"K2 Er6 F20\n1.0\n7.020386 -0.000000 4.053222\n2.340129 6.618884 4.053222\n0.000000 0.000000 8.106444\nK Er F\n2 6 20\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.239990 0.760010 0.760010 Er\n0.760011 0.239989 0.239989 Er\n0.760011 0.760010 0.239989 Er\n0.239990 0.239989 0.760010 Er\n0.760011 0.239989 0.760010 Er\n0.239990 0.760010 0.239989 Er\n0.500001 0.831942 0.168057 F\n0.831943 0.168057 0.499999 F\n0.500000 0.500000 0.831942 F\n0.831943 0.500000 0.499999 F\n0.887970 0.887969 0.887968 F\n0.112031 0.112031 0.663909 F\n0.168058 0.500000 0.500000 F\n0.887970 0.336091 0.887968 F\n0.336091 0.887969 0.887969 F\n0.887970 0.887969 0.336090 F\n0.112031 0.112031 0.112031 F\n0.500000 0.168057 0.831942 F\n0.500001 0.831942 0.499999 F\n0.831943 0.500000 0.168057 F\n0.168058 0.831942 0.500000 F\n0.500000 0.168057 0.500000 F\n0.168058 0.500000 0.831942 F\n0.500000 0.500000 0.168057 F\n0.663909 0.112031 0.112030 F\n0.112031 0.663909 0.112030 F\n","nsites":28,"nelements":3,"elements":["K","Er","F"],"chemical_system":"Er-F-K","density":6.4437211989939085,"density_atomic":0.07433303804175337,"volume":376.6831107356625,"volume_molar":8.10156683844581,"formula_full":"K2 Er6 F20","formula_reduced":"KEr3F10","formula_anonymous":"AB3C10","energy_above_hull":0.0319755084821427,"spacegroup":225},{"id":"jvasp-26727","created_at":"2022-09-04T14:37:46.101027Z","updated_at":"2022-09-04T14:37:46.101051Z","structure_string":"Ba4 Hg8 Cl8 O8\n1.0\n11.994042 0.000000 -0.000000\n0.000000 11.994042 -0.000000\n0.000000 0.000000 4.344377\nBa Hg Cl O\n4 8 8 8\ndirect\n0.635119 0.135119 0.000000 Ba\n0.364880 0.864880 0.000000 Ba\n0.135119 0.364880 0.000000 Ba\n0.864880 0.635119 0.000000 Ba\n0.673929 0.421015 0.500000 Hg\n0.326071 0.578985 0.500000 Hg\n0.173929 0.078985 0.500000 Hg\n0.578985 0.673929 0.500000 Hg\n0.826071 0.921015 0.500000 Hg\n0.078985 0.826071 0.500000 Hg\n0.921015 0.173929 0.500000 Hg\n0.421015 0.326071 0.500000 Hg\n0.000000 0.500000 0.500000 Cl\n0.170133 0.670133 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n0.000000 0.000000 0.000000 Cl\n0.329867 0.170133 0.000000 Cl\n0.670133 0.829867 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.829867 0.329867 0.000000 Cl\n0.769646 0.086110 0.500000 O\n0.586110 0.269646 0.500000 O\n0.413889 0.730354 0.500000 O\n0.269646 0.413889 0.500000 O\n0.913889 0.769646 0.500000 O\n0.230354 0.913889 0.500000 O\n0.086110 0.230354 0.500000 O\n0.730354 0.586110 0.500000 O\n","nsites":28,"nelements":4,"elements":["Ba","Hg","Cl","O"],"chemical_system":"Ba-Cl-Hg-O","density":6.816907449170137,"density_atomic":0.044802205626225396,"volume":624.9692310596855,"volume_molar":13.441616714679965,"formula_full":"Ba4 Hg8 Cl8 O8","formula_reduced":"BaHg2(ClO)2","formula_anonymous":"AB2C2D2","energy_above_hull":0.0397243292857141,"spacegroup":127},{"id":"jvasp-22207","created_at":"2022-09-04T14:37:34.102952Z","updated_at":"2022-09-04T14:37:34.102973Z","structure_string":"Mn12 Mo12 C4\n1.0\n6.796404 0.000000 3.923906\n2.265468 6.407711 3.923906\n-0.000000 -0.000000 7.847811\nMn Mo C\n12 12 4\ndirect\n0.500000 0.500000 0.000001 Mn\n0.296877 0.609369 0.296878 Mn\n0.500000 0.500000 0.500001 Mn\n0.000000 0.500000 0.500000 Mn\n0.296877 0.296877 0.296877 Mn\n0.703123 0.703123 0.390632 Mn\n0.390631 0.703123 0.703123 Mn\n0.703123 0.390631 0.703124 Mn\n0.609368 0.296877 0.296878 Mn\n0.296877 0.296877 0.609369 Mn\n0.500000 0.000000 0.500000 Mn\n0.703123 0.703123 0.703124 Mn\n0.677204 0.677204 0.072797 Mo\n0.072796 0.677204 0.677205 Mo\n0.322796 0.927204 0.927205 Mo\n0.927204 0.322796 0.322797 Mo\n0.927204 0.927204 0.322797 Mo\n0.677204 0.072796 0.677205 Mo\n0.072796 0.072796 0.677204 Mo\n0.322796 0.322796 0.927205 Mo\n0.322796 0.927204 0.322796 Mo\n0.927204 0.322796 0.927205 Mo\n0.677204 0.072796 0.072796 Mo\n0.072796 0.677204 0.072796 Mo\n0.000000 0.000000 0.000000 C\n0.500000 -0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n","nsites":28,"nelements":3,"elements":["Mn","Mo","C"],"chemical_system":"C-Mn-Mo","density":9.030245648710528,"density_atomic":0.08192706433268274,"volume":341.76740284870806,"volume_molar":7.350612168337661,"formula_full":"Mn12 Mo12 C4","formula_reduced":"Mn3Mo3C","formula_anonymous":"AB3C3","energy_above_hull":5.970257060591132,"spacegroup":227},{"id":"jvasp-57059","created_at":"2022-09-04T14:37:42.489015Z","updated_at":"2022-09-04T14:37:42.489042Z","structure_string":"Nd6 Si4 Cl2 O16\n1.0\n6.440728 -0.000000 -0.000000\n-3.220364 7.010874 -1.042852\n-0.000000 0.005594 8.826300\nNd Si Cl O\n6 4 2 16\ndirect\n0.790960 0.370357 0.171152 Nd\n0.420603 0.629642 0.328848 Nd\n0.579398 0.370357 0.671152 Nd\n0.923382 -0.000000 0.750000 Nd\n0.209040 0.629642 0.828848 Nd\n0.076618 -0.000000 0.250000 Nd\n0.896063 0.683863 0.475113 Si\n0.787800 0.683863 0.975113 Si\n0.212200 0.316136 0.024887 Si\n0.103937 0.316136 0.524887 Si\n0.474354 -0.000000 0.750000 Cl\n0.525646 -0.000000 0.250000 Cl\n0.266423 0.308545 0.843745 O\n0.679539 0.474538 0.418607 O\n0.904713 0.287566 0.645441 O\n0.795000 0.474538 0.918607 O\n0.794438 0.846357 0.468561 O\n0.617147 0.712433 0.854559 O\n0.382853 0.287566 0.145441 O\n0.095287 0.712433 0.354559 O\n0.205000 0.525461 0.081393 O\n0.948081 0.153643 0.031439 O\n0.320461 0.525461 0.581393 O\n0.042121 0.308545 0.343745 O\n0.733577 0.691454 0.156255 O\n0.957879 0.691454 0.656255 O\n0.051919 0.846356 0.968561 O\n0.205563 0.153642 0.531439 O\n","nsites":28,"nelements":4,"elements":["Nd","Si","Cl","O"],"chemical_system":"Cl-Nd-O-Si","density":5.435378821259443,"density_atomic":0.07024756662515876,"volume":398.5903191409902,"volume_molar":8.572739312287018,"formula_full":"Nd6 Si4 Cl2 O16","formula_reduced":"Nd3Si2ClO8","formula_anonymous":"AB2C3D8","energy_above_hull":2.4588224119642854,"spacegroup":15},{"id":"jvasp-25004","created_at":"2022-09-04T14:37:44.789198Z","updated_at":"2022-09-04T14:37:44.789210Z","structure_string":"Pr6 Si4 S16 I2\n1.0\n7.874525 0.000000 0.000000\n-3.937263 7.928485 -1.129090\n0.000000 -0.021111 10.921361\nPr Si S I\n6 4 16 2\ndirect\n0.319248 0.395748 0.180949 Pr\n0.599588 0.000000 0.250000 Pr\n0.680752 0.604253 0.819051 Pr\n0.923500 0.604253 0.319051 Pr\n0.076500 0.395748 0.680949 Pr\n0.400412 0.000000 0.750000 Pr\n0.303060 0.680717 0.971708 Si\n0.622343 0.319283 0.528291 Si\n0.377658 0.680717 0.471708 Si\n0.696940 0.319283 0.028292 Si\n0.549141 0.298519 0.337526 S\n0.851215 0.564366 0.585216 S\n0.722494 0.135380 0.541030 S\n0.891063 0.290033 0.146301 S\n0.749378 0.298520 0.837526 S\n0.277506 0.864621 0.458970 S\n0.601030 0.709967 0.353699 S\n0.450859 0.701481 0.662474 S\n0.250623 0.701481 0.162474 S\n0.412885 0.135379 0.041030 S\n0.108937 0.709967 0.853699 S\n0.398970 0.290034 0.646301 S\n0.148786 0.435635 0.414784 S\n0.587115 0.864621 0.958970 S\n0.713151 0.564366 0.085216 S\n0.286849 0.435635 0.914784 S\n0.983728 0.000000 0.750000 I\n0.016272 0.000000 0.250000 I\n","nsites":28,"nelements":4,"elements":["Pr","Si","S","I"],"chemical_system":"I-Pr-S-Si","density":4.201215764360557,"density_atomic":0.041075821837129406,"volume":681.6662150065647,"volume_molar":14.661035350378418,"formula_full":"Pr6 Si4 S16 I2","formula_reduced":"Pr3Si2S8I","formula_anonymous":"AB2C3D8","energy_above_hull":2.198293073214286,"spacegroup":15},{"id":"jvasp-40139","created_at":"2022-09-04T14:37:42.501602Z","updated_at":"2022-09-04T14:37:42.501618Z","structure_string":"Ca8 Sn4 S16\n1.0\n7.094817 -0.000000 0.000000\n0.000000 7.946385 0.000000\n0.000000 0.000000 11.389802\nCa Sn S\n8 4 16\ndirect\n0.094313 -0.000020 0.684443 Ca\n0.405687 0.500019 0.184443 Ca\n0.905687 0.499980 0.315556 Ca\n0.594313 0.000020 0.815556 Ca\n0.905687 0.000020 0.315556 Ca\n0.594313 0.499980 0.815556 Ca\n0.094313 0.500019 0.684443 Ca\n0.405687 -0.000020 0.184443 Ca\n0.499968 0.250000 0.499988 Sn\n0.000032 0.250000 -0.000012 Sn\n0.500032 0.750000 0.500012 Sn\n-0.000032 0.750000 0.000012 Sn\n0.738267 0.499998 0.551660 S\n0.761733 0.000002 0.051660 S\n0.738267 0.000002 0.551660 S\n0.761733 0.499998 0.051660 S\n0.261733 0.500001 0.448339 S\n0.238267 -0.000002 0.948339 S\n0.625903 0.250000 0.294121 S\n0.625944 0.750000 0.294136 S\n0.374097 0.750000 0.705879 S\n0.125903 0.750000 0.205879 S\n0.374056 0.250000 0.705863 S\n0.125944 0.250000 0.205863 S\n0.238267 0.500001 0.948339 S\n0.874056 0.750000 0.794136 S\n0.874097 0.250000 0.794121 S\n0.261733 -0.000002 0.448339 S\n","nsites":28,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.3837414937599157,"density_atomic":0.04360447443658346,"volume":642.135935859565,"volume_molar":13.810832117145114,"formula_full":"Ca8 Sn4 S16","formula_reduced":"Ca2SnS4","formula_anonymous":"AB2C4","energy_above_hull":0.9428375057142856,"spacegroup":55}]}