{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4389","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=4387","results":[{"id":"jvasp-112182","created_at":"2022-09-04T14:38:41.953865Z","updated_at":"2022-09-04T14:38:41.953887Z","structure_string":"Cd1 H14 C9 O4\n1.0\n4.225863 0.138091 0.360918\n0.881066 4.121010 0.202062\n0.203288 0.216112 12.927102\nCd H C O\n1 14 9 4\ndirect\n0.063111 0.991661 0.829569 Cd\n0.266786 0.029633 0.429324 H\n0.810611 0.390157 0.162751 H\n0.823044 0.050575 0.089160 H\n0.793041 0.130000 0.337473 H\n0.865514 0.749733 0.279835 H\n0.359928 0.639621 0.377248 H\n0.776427 0.880980 0.521675 H\n0.581152 0.659203 0.018593 H\n0.220552 0.624549 0.093527 H\n0.269626 0.322700 0.255315 H\n0.331496 0.947583 0.195816 H\n0.239483 0.769304 0.604027 H\n0.376843 0.360501 0.563806 H\n0.876216 0.486516 0.471080 H\n0.355047 0.333717 0.961977 C\n0.446757 0.481686 0.053908 C\n0.655887 0.252296 0.131181 C\n0.461011 0.118294 0.222826 C\n0.670390 0.690469 0.495042 C\n0.471900 0.827729 0.402749 C\n0.457289 0.573460 0.585896 C\n0.634629 0.477779 0.683463 C\n0.669443 0.953515 0.310334 C\n0.533343 0.072176 0.924087 O\n0.549563 0.650058 0.763121 O\n0.872955 0.222033 0.680740 O\n0.087271 0.474970 0.921898 O\n","nsites":28,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.222229581137572,"density_atomic":0.1254829434195833,"volume":223.13789617107614,"volume_molar":4.799170784401734,"formula_full":"Cd1 H14 C9 O4","formula_reduced":"CdH14C9O4","formula_anonymous":"AB4C9D14","energy_above_hull":4.479579419642857,"spacegroup":1},{"id":"jvasp-112717","created_at":"2022-09-04T14:38:41.946457Z","updated_at":"2022-09-04T14:38:41.946472Z","structure_string":"Nb2 Cr6 Ag4 S16\n1.0\n7.252413 -0.000000 0.000000\n0.000000 7.300614 0.000000\n-0.000000 -0.000000 10.194029\nNb Cr Ag S\n2 6 4 16\ndirect\n-0.000000 0.461061 0.500000 Nb\n0.500000 0.538939 0.500000 Nb\n0.254554 0.752859 0.247152 Cr\n0.745446 0.752859 0.752848 Cr\n0.245446 0.247140 0.247152 Cr\n0.754554 0.247140 0.752848 Cr\n-0.000000 0.997761 -0.000000 Cr\n0.500000 0.002238 -0.000000 Cr\n0.250000 0.500000 0.883846 Ag\n0.250000 0.000000 0.642000 Ag\n0.750000 0.500000 0.116155 Ag\n0.750000 0.000000 0.358000 Ag\n0.465201 0.002976 0.233710 S\n0.527727 0.495132 0.739787 S\n0.761977 0.736280 0.510677 S\n0.252126 0.782003 0.014677 S\n0.752126 0.217997 0.985323 S\n0.261977 0.263720 0.489324 S\n0.472273 0.495132 0.260213 S\n0.238023 0.736280 0.489324 S\n0.972273 0.504868 0.739787 S\n0.034799 0.997023 0.233710 S\n0.247874 0.217997 0.014677 S\n0.738022 0.263720 0.510677 S\n0.027727 0.504868 0.260213 S\n0.747874 0.782003 0.985323 S\n0.534799 0.002976 0.766290 S\n0.965201 0.997023 0.766290 S\n","nsites":28,"nelements":4,"elements":["Nb","Cr","Ag","S"],"chemical_system":"Ag-Cr-Nb-S","density":4.437287537381457,"density_atomic":0.05187645037252834,"volume":539.7439454498156,"volume_molar":11.608621478059112,"formula_full":"Nb2 Cr6 Ag4 S16","formula_reduced":"NbCr3(AgS4)2","formula_anonymous":"AB2C3D8","energy_above_hull":2.994319008571429,"spacegroup":17},{"id":"jvasp-116508","created_at":"2022-09-04T14:38:41.930724Z","updated_at":"2022-09-04T14:38:41.930752Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n8.728320 -0.041345 3.856318\n8.277984 2.767717 3.856318\n0.191094 0.030635 9.485237\nLi Mn Co O\n8 2 4 14\ndirect\n0.342571 0.342573 0.076773 Li\n0.083425 0.083427 0.202242 Li\n0.786438 0.786443 0.353066 Li\n0.498133 0.498138 0.500170 Li\n0.215787 0.215790 0.649301 Li\n0.924708 0.924717 0.783910 Li\n0.650485 0.650492 0.933434 Li\n0.713852 0.713857 0.134852 Li\n0.999405 0.999411 0.000546 Mn\n0.145942 0.145944 0.422298 Mn\n0.569957 0.569963 0.715542 Co\n0.284698 0.284702 0.861712 Co\n0.429148 0.429151 0.285159 Co\n0.857830 0.857838 0.570891 Co\n0.818752 0.818760 0.951881 O\n0.469399 0.469405 0.897222 O\n0.184069 0.184070 0.023954 O\n0.900266 0.900272 0.178868 O\n0.608810 0.608814 0.337244 O\n0.330694 0.330698 0.465754 O\n0.041413 0.041416 0.613425 O\n0.758727 0.758734 0.749567 O\n0.243077 0.243080 0.269865 O\n0.956996 0.957003 0.387627 O\n0.670198 0.670204 0.539134 O\n0.386330 0.386335 0.673571 O\n0.098708 0.098712 0.819384 O\n0.530111 0.530114 0.102618 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.508109002255238,"density_atomic":0.12160013692974367,"volume":230.2628986032921,"volume_molar":4.952412811409401,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy_above_hull":2.5554181100985223,"spacegroup":8},{"id":"jvasp-120590","created_at":"2022-09-04T14:38:47.142012Z","updated_at":"2022-09-04T14:38:47.142022Z","structure_string":"Li4 V4 Si4 O16\n1.0\n8.975454 -0.017782 -2.244015\n0.547678 5.231879 -1.621397\n0.023403 -0.092352 6.353952\nLi V Si O\n4 4 4 16\ndirect\n0.140800 0.179716 0.373687 Li\n0.217165 0.683761 0.430604 Li\n0.782834 0.316238 0.569396 Li\n0.859202 0.820280 0.626313 Li\n0.208896 0.703690 0.927379 V\n0.424938 0.203020 0.158963 V\n0.575060 0.796982 0.841034 V\n0.791103 0.296312 0.072624 V\n0.906874 0.839357 0.175082 Si\n0.537616 0.676158 0.296795 Si\n0.462383 0.323843 0.703205 Si\n0.093125 0.160642 0.824918 Si\n0.920783 0.252639 0.855361 O\n0.790463 0.885138 0.941371 O\n0.554607 0.871832 0.157887 O\n0.616782 0.373894 0.225075 O\n0.615215 0.792583 0.556135 O\n0.638396 0.398736 0.779167 O\n0.361603 0.601266 0.220833 O\n0.094423 0.855226 0.670352 O\n0.383217 0.626109 0.774923 O\n0.445391 0.128169 0.842113 O\n0.209537 0.114862 0.058630 O\n0.079218 0.747363 0.144640 O\n0.905576 0.144775 0.329648 O\n0.151502 0.358831 0.726368 O\n0.384783 0.207419 0.443864 O\n0.848498 0.641171 0.273634 O\n","nsites":28,"nelements":4,"elements":["Li","V","Si","O"],"chemical_system":"Li-O-Si-V","density":3.3484566477598072,"density_atomic":0.09412434643661677,"volume":297.4788251927483,"volume_molar":6.398069137250587,"formula_full":"Li4 V4 Si4 O16","formula_reduced":"LiVSiO4","formula_anonymous":"ABCD4","energy_above_hull":2.5407781142857147,"spacegroup":2},{"id":"jvasp-116609","created_at":"2022-09-04T14:38:42.618875Z","updated_at":"2022-09-04T14:38:42.618908Z","structure_string":"Mg8 B4 O16\n1.0\n3.092723 -0.000000 0.000000\n0.000000 9.353925 0.000000\n-0.000000 -0.000000 9.587329\nMg B O\n8 4 16\ndirect\n0.250000 0.696582 0.106997 Mg\n0.749999 0.303418 0.893003 Mg\n0.749999 0.196582 0.393003 Mg\n0.250000 0.803418 0.606997 Mg\n0.250000 0.065263 0.137942 Mg\n0.749999 0.934737 0.862058 Mg\n0.749999 0.565262 0.362058 Mg\n0.250000 0.434737 0.637943 Mg\n0.250000 0.129260 0.667437 B\n0.749999 0.870739 0.332563 B\n0.749999 0.629260 0.832563 B\n0.250000 0.370740 0.167437 B\n0.749999 0.394291 0.497063 O\n0.250000 0.605709 0.502937 O\n0.250000 0.993335 0.722670 O\n0.749999 0.006664 0.277330 O\n0.749999 0.493336 0.777330 O\n0.250000 0.506664 0.222670 O\n0.250000 0.149002 0.524649 O\n0.749999 0.748472 0.747214 O\n0.749999 0.649002 0.975351 O\n0.250000 0.350998 0.024649 O\n0.250000 0.248472 0.752786 O\n0.749999 0.751527 0.247214 O\n0.749999 0.105709 0.997063 O\n0.250000 0.251527 0.252786 O\n0.749999 0.850997 0.475351 O\n0.250000 0.894291 0.002937 O\n","nsites":28,"nelements":3,"elements":["Mg","B","O"],"chemical_system":"B-Mg-O","density":2.9556783198667764,"density_atomic":0.10095445599584192,"volume":277.3527896693659,"volume_molar":5.965205498455698,"formula_full":"Mg8 B4 O16","formula_reduced":"Mg2BO4","formula_anonymous":"AB2C4","energy_above_hull":1.649236383333333,"spacegroup":62},{"id":"jvasp-116515","created_at":"2022-09-04T14:38:31.920171Z","updated_at":"2022-09-04T14:38:31.920191Z","structure_string":"Li4 Nb3 Cr3 Ni2 O16\n1.0\n5.927971 -0.003925 0.058876\n2.904791 5.167498 0.058876\n0.077860 0.045517 9.716219\nLi Nb Cr Ni O\n4 3 3 2 16\ndirect\n0.338851 0.338852 0.099472 Li\n0.986752 0.986756 0.998210 Li\n0.968400 0.968402 0.509725 Li\n0.667817 0.667819 0.617414 Li\n0.171553 0.171554 0.783993 Nb\n0.837190 0.341040 0.287419 Nb\n0.341038 0.837191 0.287419 Nb\n0.171092 0.662145 0.786984 Cr\n0.830471 0.830473 0.283038 Cr\n0.662144 0.171094 0.786984 Cr\n0.339009 0.339010 0.518961 Ni\n0.669291 0.669294 0.995718 Ni\n0.839235 0.839238 0.887960 O\n0.838057 0.319640 0.897518 O\n0.669376 0.669378 0.405052 O\n0.519242 0.971931 0.162669 O\n0.971929 0.519244 0.162669 O\n0.162491 0.162492 0.403814 O\n0.034960 0.491490 0.663756 O\n0.482910 0.482911 0.672347 O\n0.157868 0.678663 0.394509 O\n-0.001311 -0.001310 0.180568 O\n0.999780 0.999783 0.685677 O\n0.334650 0.334652 0.898921 O\n0.517399 0.517401 0.165598 O\n0.678662 0.157869 0.394509 O\n0.491489 0.034961 0.663756 O\n0.319638 0.838059 0.897518 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0.759642 0.883687 Mn\n0.960074 0.259643 0.866312 Mn\n0.740357 0.039926 0.633687 Mn\n0.460074 0.240357 0.383687 Mn\n0.759642 0.539925 0.116312 Mn\n0.755618 0.505991 0.895954 O\n0.185847 0.185847 0.000000 O\n0.685846 0.314153 0.250000 O\n0.814153 0.814153 0.500000 O\n0.744381 0.005991 0.854045 O\n0.255619 0.994009 0.354045 O\n0.314153 0.685846 0.750000 O\n0.244381 0.494009 0.395954 O\n0.994009 0.255619 0.645954 O\n0.505991 0.755618 0.104046 O\n0.494009 0.244381 0.604045 O\n0.005991 0.744381 0.145954 O\n","nsites":28,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":3.5195513802836054,"density_atomic":0.0727808929899224,"volume":384.71635685861975,"volume_molar":8.274343048846427,"formula_full":"Na8 Mn8 O12","formula_reduced":"Na2Mn2O3","formula_anonymous":"A2B2C3","energy_above_hull":2.124118997536945,"spacegroup":96},{"id":"jvasp-111702","created_at":"2022-09-04T14:38:41.545070Z","updated_at":"2022-09-04T14:38:41.545097Z","structure_string":"Ba4 Er8 S16\n1.0\n4.005420 -0.000000 0.000000\n0.000000 12.216635 0.000000\n0.000000 0.000000 14.419763\nBa Er S\n4 8 16\ndirect\n0.250000 0.241878 0.337532 Ba\n0.250000 0.741878 0.162468 Ba\n0.750000 0.758121 0.662468 Ba\n0.750000 0.258122 0.837532 Ba\n0.750000 0.933520 0.891684 Er\n0.750000 0.433520 0.608316 Er\n0.250000 0.566480 0.391684 Er\n0.250000 0.066480 0.108316 Er\n0.750000 0.921252 0.398674 Er\n0.250000 0.578748 0.898674 Er\n0.250000 0.078748 0.601326 Er\n0.750000 0.421252 0.101326 Er\n0.250000 0.376595 0.976880 S\n0.250000 0.977148 0.282896 S\n0.250000 0.477149 0.217104 S\n0.750000 0.123405 0.476881 S\n0.750000 0.623405 0.023119 S\n0.250000 0.876594 0.523119 S\n0.750000 0.207118 0.160526 S\n0.250000 0.581460 0.576686 S\n0.250000 0.792881 0.839474 S\n0.250000 0.292882 0.660526 S\n0.750000 0.418540 0.423313 S\n0.750000 0.918540 0.076686 S\n0.750000 0.522851 0.782896 S\n0.250000 0.081460 0.923313 S\n0.750000 0.707118 0.339474 S\n0.750000 0.022851 0.717104 S\n","nsites":28,"nelements":3,"elements":["Ba","Er","S"],"chemical_system":"Ba-Er-S","density":5.649090743580689,"density_atomic":0.039682611784485546,"volume":705.5987179489778,"volume_molar":15.175767141301009,"formula_full":"Ba4 Er8 S16","formula_reduced":"Ba(ErS2)2","formula_anonymous":"AB2C4","energy_above_hull":1.30832371,"spacegroup":62},{"id":"jvasp-57107","created_at":"2022-09-04T14:38:31.873006Z","updated_at":"2022-09-04T14:38:31.873027Z","structure_string":"U4 Au2 F22\n1.0\n5.876128 0.000000 2.322656\n2.938064 7.916388 1.161327\n0.028038 0.000000 8.523457\nU Au F\n4 2 22\ndirect\n0.644912 0.210177 0.500001 U\n0.855088 0.500000 0.789825 U\n0.144912 0.500000 0.210177 U\n0.355088 0.789824 0.500001 U\n0.500000 -0.000000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n0.598296 0.068444 0.734965 F\n0.250000 0.679578 0.320423 F\n0.000000 -0.000000 0.500000 F\n0.166739 0.931557 0.734965 F\n0.250000 0.320422 0.679578 F\n-0.000000 0.500000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.750000 0.320422 0.679579 F\n0.429578 0.320422 0.320423 F\n0.750000 0.679578 0.320423 F\n0.070422 0.679578 0.679579 F\n0.098295 0.734964 0.068444 F\n0.500000 0.500000 0.500001 F\n0.901704 0.265036 0.931557 F\n0.401703 0.931557 0.265036 F\n0.570422 0.679578 0.679579 F\n-0.000000 0.500000 0.500000 F\n0.333260 0.265036 0.068444 F\n0.666740 0.734964 0.931557 F\n0.929578 0.320422 0.320423 F\n0.833261 0.068444 0.265036 F\n0.500000 -0.000000 0.500000 F\n","nsites":28,"nelements":3,"elements":["U","Au","F"],"chemical_system":"Au-F-U","density":7.397449361836716,"density_atomic":0.07071132803179397,"volume":395.97615798433804,"volume_molar":8.516514860663149,"formula_full":"U4 Au2 F22","formula_reduced":"U2AuF11","formula_anonymous":"AB2C11","energy_above_hull":0.7274159055357143,"spacegroup":140},{"id":"jvasp-116505","created_at":"2022-09-04T14:38:31.868281Z","updated_at":"2022-09-04T14:38:31.868318Z","structure_string":"Li8 Mn2 Co4 O14\n1.0\n5.324244 -0.062264 -2.155412\n0.575558 5.729890 -2.740785\n-0.107856 0.005320 7.521670\nLi Mn Co O\n8 2 4 14\ndirect\n0.216982 0.437792 0.145327 Li\n0.931881 0.864617 0.296431 Li\n0.634559 0.273845 0.426021 Li\n0.360080 0.720982 0.563178 Li\n0.067683 0.143753 0.706676 Li\n0.786925 0.568211 0.854940 Li\n0.500375 0.990833 0.006185 Li\n0.430086 0.861663 0.292080 Li\n0.008567 0.995012 0.003276 Mn\n0.708494 0.437454 0.144998 Mn\n0.570251 0.141597 0.712295 Co\n0.286431 0.572498 0.858626 Co\n0.143184 0.282555 0.427099 Co\n0.855615 0.715674 0.569375 Co\n0.105745 0.721587 0.057040 O\n0.880427 0.273970 0.933183 O\n0.603396 0.692015 0.065118 O\n0.295896 0.143044 0.207878 O\n0.018686 0.563087 0.358304 O\n0.746080 0.996094 0.515812 O\n0.443657 0.414002 0.644719 O\n0.165158 0.846101 0.789547 O\n0.560454 0.563934 0.355701 O\n0.259319 0.022396 0.508938 O\n0.984092 0.442675 0.639064 O\n0.693320 0.867823 0.781525 O\n0.408608 0.298884 0.929438 O\n0.834035 0.147911 0.207219 O\n","nsites":28,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.543760174709957,"density_atomic":0.12256177903955758,"volume":228.45621383288525,"volume_molar":4.913555275708193,"formula_full":"Li8 Mn2 Co4 O14","formula_reduced":"Li4MnCo2O7","formula_anonymous":"AB2C4D7","energy_above_hull":2.5535159672413794,"spacegroup":1},{"id":"jvasp-116503","created_at":"2022-09-04T14:38:41.822746Z","updated_at":"2022-09-04T14:38:41.822774Z","structure_string":"Li8 Co6 O14\n1.0\n16.334185 0.055172 -0.302154\n16.078832 2.877463 -0.302154\n-0.114414 -0.010352 4.927111\nLi Co O\n8 6 14\ndirect\n0.930709 0.930706 0.145350 Li\n0.358736 0.358735 0.279185 Li\n0.786148 0.786145 0.425786 Li\n0.213854 0.213853 0.574215 Li\n0.641266 0.641264 0.720816 Li\n0.500001 0.499999 0.000001 Li\n0.069292 0.069293 0.854651 Li\n-0.000000 0.000000 0.500000 Li\n0.714346 0.714343 0.073864 Co\n0.285656 0.285656 0.926137 Co\n0.142992 0.142991 0.220160 Co\n0.569726 0.569724 0.364661 Co\n0.430275 0.430274 0.635340 Co\n0.857010 0.857007 0.779841 Co\n0.609879 0.609877 0.073122 O\n0.180289 0.180289 0.924990 O\n0.751366 0.751363 0.777724 O\n0.322469 0.322468 0.629683 O\n0.893969 0.893966 0.489770 O\n0.106033 0.106033 0.510231 O\n0.539024 0.539022 0.661981 O\n0.248636 0.248635 0.222278 O\n0.819713 0.819709 0.075011 O\n0.390123 0.390122 0.926879 O\n0.959813 0.959810 0.802707 O\n0.460978 0.460976 0.338020 O\n0.677533 0.677531 0.370318 O\n0.040188 0.040189 0.197294 O\n","nsites":28,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.62911575079068,"density_atomic":0.12328827754488986,"volume":227.1099942150223,"volume_molar":4.884601261305893,"formula_full":"Li8 Co6 O14","formula_reduced":"Li4Co3O7","formula_anonymous":"A3B4C7","energy_above_hull":2.4820676571428573,"spacegroup":12},{"id":"jvasp-117165","created_at":"2022-09-04T14:38:46.512230Z","updated_at":"2022-09-04T14:38:46.512256Z","structure_string":"Ba4 Dy8 Se16\n1.0\n4.197456 -0.000000 0.000000\n0.000000 12.798715 0.000000\n0.000000 -0.000000 15.166226\nBa Dy Se\n4 8 16\ndirect\n0.250000 0.759375 0.334941 Ba\n0.250000 0.259375 0.165059 Ba\n0.750001 0.240625 0.665059 Ba\n0.750001 0.740625 0.834941 Ba\n0.750001 0.079093 0.400336 Dy\n0.750001 0.579093 0.099664 Dy\n0.250000 0.420906 0.900336 Dy\n0.250000 0.920906 0.599664 Dy\n0.750001 0.564820 0.608348 Dy\n0.250000 0.935179 0.108348 Dy\n0.250000 0.435179 0.391653 Dy\n0.750001 0.064820 0.891653 Dy\n0.250000 0.523963 0.216903 Se\n0.250000 0.914606 0.922675 Se\n0.250000 0.414606 0.577325 Se\n0.750001 0.976036 0.716903 Se\n0.750001 0.476036 0.783097 Se\n0.250000 0.023964 0.283097 Se\n0.750001 0.373319 0.025136 Se\n0.250000 0.706609 0.662526 Se\n0.250000 0.626680 0.974864 Se\n0.250000 0.126680 0.525136 Se\n0.750001 0.293391 0.337474 Se\n0.750001 0.793391 0.162526 Se\n0.750001 0.585393 0.422675 Se\n0.250000 0.206609 0.837474 Se\n0.750001 0.873319 0.474864 Se\n0.750001 0.085394 0.077325 Se\n","nsites":28,"nelements":3,"elements":["Ba","Dy","Se"],"chemical_system":"Ba-Dy-Se","density":6.343834644449441,"density_atomic":0.03436592099146966,"volume":814.7606463667942,"volume_molar":17.52358320760506,"formula_full":"Ba4 Dy8 Se16","formula_reduced":"Ba(DySe2)2","formula_anonymous":"AB2C4","energy_above_hull":1.0278874909523807,"spacegroup":62}]}