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F\n0.832093 0.332093 0.750000 F\n","nsites":54,"nelements":5,"elements":["Sb","Ru","C","O","F"],"chemical_system":"C-F-O-Ru-Sb","density":3.1215984506010837,"density_atomic":0.0685313930834859,"volume":787.9600511581086,"volume_molar":8.787419150612836,"formula_full":"Sb4 Ru2 C12 O12 F24","formula_reduced":"Sb2RuC6(OF2)6","formula_anonymous":"AB2C6D6E12","energy_above_hull":2.627375447777778,"spacegroup":128},{"id":"jvasp-50870","created_at":"2022-09-04T14:35:54.805844Z","updated_at":"2022-09-04T14:35:54.805863Z","structure_string":"Cd1 Cu1 H8 Cl4 O4\n1.0\n3.997310 0.003544 -0.055713\n1.892523 6.717739 -0.186450\n1.076549 -0.101462 8.432669\nCd Cu H Cl O\n1 1 8 4 4\ndirect\n0.000000 0.000000 0.500000 Cd\n0.500000 -0.000000 0.000000 Cu\n0.883128 0.659603 0.879922 H\n0.663954 0.639357 0.047912 H\n0.580989 0.407162 0.207733 H\n0.722551 0.559983 0.305317 H\n0.336045 0.360642 0.952089 H\n0.277448 0.440017 0.694684 H\n0.116871 0.340397 0.120078 H\n0.419011 0.592838 0.792268 H\n0.075204 0.934200 0.189231 Cl\n0.369982 0.262324 0.475272 Cl\n0.630017 0.737676 0.524729 Cl\n0.924795 0.065799 0.810770 Cl\n0.743371 0.491649 0.200363 O\n0.350136 0.285080 0.053674 O\n0.256628 0.508351 0.799638 O\n0.649863 0.714920 0.946327 O\n","nsites":18,"nelements":5,"elements":["Cd","Cu","H","Cl","O"],"chemical_system":"Cd-Cl-Cu-H-O","density":2.855159732829075,"density_atomic":0.079392307748772,"volume":226.72221667820727,"volume_molar":7.58529501252991,"formula_full":"Cd1 Cu1 H8 Cl4 O4","formula_reduced":"CdCuH8(ClO)4","formula_anonymous":"ABC4D4E8","energy_above_hull":1.9234566927777776,"spacegroup":2},{"id":"jvasp-90270","created_at":"2022-09-04T14:35:49.744635Z","updated_at":"2022-09-04T14:35:49.744661Z","structure_string":"Rb1 Be2 B1 O3 F2\n1.0\n0.000000 -4.474434 0.000000\n-3.612381 2.237216 1.401757\n0.047379 0.000000 -7.019153\nRb Be B O F\n1 2 1 3 2\ndirect\n0.004943 0.000000 0.000000 Rb\n0.200345 0.390915 0.586387 Be\n0.809430 0.609085 0.413612 Be\n0.504894 -0.000000 0.500000 B\n0.813056 -0.000000 0.500000 O\n0.196716 0.691817 0.499984 O\n0.504898 0.308182 0.500015 O\n0.730449 0.451187 0.176837 F\n0.279262 0.548813 0.823162 F\n","nsites":9,"nelements":5,"elements":["Rb","Be","B","O","F"],"chemical_system":"B-Be-F-O-Rb","density":2.9393326720324544,"density_atomic":0.07953626114503501,"volume":113.15593504688921,"volume_molar":7.571566318686489,"formula_full":"Rb1 Be2 B1 O3 F2","formula_reduced":"RbBe2BO3F2","formula_anonymous":"ABC2D2E3","energy_above_hull":1.5230117609259255,"spacegroup":155},{"id":"jvasp-98641","created_at":"2022-09-04T14:35:49.165629Z","updated_at":"2022-09-04T14:35:49.165646Z","structure_string":"Ga2 H24 N6 O6 F12\n1.0\n5.857995 0.256518 1.238357\n2.321830 7.100714 0.443519\n0.728323 -0.177731 10.344862\nGa H N O F\n2 24 6 6 12\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.054558 0.196734 0.496817 H\n0.326416 0.879053 0.616553 H\n0.673585 0.120947 0.383447 H\n0.056262 0.051433 0.690030 H\n0.943738 0.948566 0.309970 H\n0.322421 0.105281 0.638436 H\n0.677580 0.894719 0.361564 H\n0.968656 0.465671 0.343474 H\n0.031344 0.534329 0.656527 H\n0.336861 0.364660 0.102314 H\n0.663139 0.635339 0.897686 H\n0.945442 0.803266 0.503183 H\n0.787598 0.790057 0.806281 H\n0.379659 0.315945 0.257073 H\n0.620341 0.684055 0.742927 H\n0.739632 0.451358 0.063162 H\n0.260368 0.548641 0.936838 H\n0.439864 0.835006 0.139067 H\n0.560136 0.164994 0.860934 H\n0.587386 0.682389 0.243238 H\n0.412614 0.317610 0.756762 H\n0.761339 0.742656 0.096939 H\n0.212403 0.209943 0.193719 H\n0.238661 0.257343 0.903061 H\n0.774605 0.974362 0.382907 N\n0.255771 0.331525 0.199139 N\n0.225395 0.025638 0.617093 N\n0.597723 0.717210 0.142838 N\n0.402277 0.282790 0.857162 N\n0.744229 0.668475 0.800861 N\n0.415528 0.431498 -0.069519 O\n0.584473 0.568502 0.069519 O\n-0.036631 0.505567 0.752087 O\n0.036631 0.494433 0.247913 O\n0.801306 0.928099 0.514923 O\n0.198694 0.071901 0.485078 O\n0.149305 0.608766 0.512089 F\n0.850695 0.391234 0.487911 F\n0.441477 0.292026 0.600964 F\n0.558524 0.707974 0.399036 F\n0.035420 0.732318 0.994255 F\n0.145469 0.976100 0.154278 F\n0.314642 -0.050004 0.877719 F\n0.685358 0.050004 0.122281 F\n0.854532 0.023900 0.845722 F\n0.561861 0.355204 0.340393 F\n0.964581 0.267682 0.005745 F\n0.438140 0.644796 0.659608 F\n","nsites":50,"nelements":5,"elements":["Ga","H","N","O","F"],"chemical_system":"F-Ga-H-N-O","density":2.2721796807509005,"density_atomic":0.1196824120230143,"volume":417.77232890648344,"volume_molar":5.0317675406157205,"formula_full":"Ga2 H24 N6 O6 F12","formula_reduced":"GaH12N3(OF2)3","formula_anonymous":"AB3C3D6E12","energy_above_hull":2.6260529708,"spacegroup":2}]}