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0.759630 0.214636 C\n0.871820 0.242668 0.894945 C\n0.320545 0.470694 0.352756 C\n0.142501 0.639034 0.724632 C\n0.033441 0.119584 0.527681 C\n0.649819 0.822328 0.114987 C\n0.425560 0.425992 0.508161 O\n0.102938 0.304359 0.873942 O\n0.656164 0.321503 0.840009 O\n0.075146 0.428663 0.277035 O\n","nsites":30,"nelements":4,"elements":["Ti","H","C","O"],"chemical_system":"C-H-O-Ti","density":1.491997828181286,"density_atomic":0.11417382359336564,"volume":262.7572507937207,"volume_molar":5.274537166634692,"formula_full":"Ti1 H16 C9 O4","formula_reduced":"TiH16C9O4","formula_anonymous":"AB4C9D16","energy_above_hull":4.656744411111111,"spacegroup":1},{"id":"jvasp-106418","created_at":"2022-09-04T14:36:55.683215Z","updated_at":"2022-09-04T14:36:55.683238Z","structure_string":"Na2 Cu1 As1 F6\n1.0\n5.121524 -0.000000 2.956913\n1.707175 4.828619 2.956913\n-0.000000 -0.000000 5.913826\nNa Cu As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.752839 0.247160 0.247160 F\n0.247160 0.247160 0.752840 F\n0.247159 0.752840 0.752840 F\n0.247159 0.752840 0.247160 F\n0.752839 0.247160 0.752840 F\n0.752838 0.752840 0.247160 F\n","nsites":10,"nelements":4,"elements":["Na","Cu","As","F"],"chemical_system":"As-Cu-F-Na","density":3.3885342627782555,"density_atomic":0.0683768841319761,"volume":146.24825519540678,"volume_molar":8.80727578691141,"formula_full":"Na2 Cu1 As1 F6","formula_reduced":"Na2CuAsF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-104162","created_at":"2022-09-04T14:36:55.764179Z","updated_at":"2022-09-04T14:36:55.764197Z","structure_string":"H4 C6 S4 O2\n1.0\n4.572835 0.069617 0.197336\n0.399750 4.365272 0.403492\n0.134288 0.327906 11.358341\nH C S O\n4 6 4 2\ndirect\n0.280102 0.197369 0.865942 H\n0.780116 0.197376 0.365941 H\n0.531540 0.335758 0.753147 H\n0.031549 0.335766 0.253145 H\n0.152162 0.653308 0.784805 C\n0.652173 0.653315 0.284805 C\n0.662900 0.167757 0.189016 C\n0.162891 0.167750 0.689016 C\n0.295166 0.331399 0.778250 C\n0.795176 0.331406 0.278248 C\n0.455431 0.310634 0.082292 S\n0.955425 0.310628 0.582292 S\n0.888568 0.750285 0.880350 S\n0.388579 0.750290 0.380350 S\n0.272333 0.851131 0.699490 O\n0.772342 0.851139 0.199489 O\n","nsites":16,"nelements":4,"elements":["H","C","S","O"],"chemical_system":"C-H-O-S","density":1.7387420960207782,"density_atomic":0.07088293648881436,"volume":225.7242827760793,"volume_molar":8.495896273922456,"formula_full":"H4 C6 S4 O2","formula_reduced":"H2C3S2O","formula_anonymous":"AB2C2D3","energy_above_hull":4.2868666875,"spacegroup":1},{"id":"jvasp-103881","created_at":"2022-09-04T14:36:54.662748Z","updated_at":"2022-09-04T14:36:54.662769Z","structure_string":"Ti1 H14 C9 O6\n1.0\n5.616824 -0.417991 -1.441161\n-0.526860 5.803068 0.329291\n-0.471263 0.175434 7.913137\nTi H C O\n1 14 9 6\ndirect\n-0.020237 0.516768 0.091448 Ti\n0.006401 -0.088946 0.618507 H\n0.152359 0.129336 0.502007 H\n0.297185 0.007927 0.903579 H\n0.157795 0.244541 0.801248 H\n0.476228 0.266814 0.474950 H\n0.553351 0.567689 0.492655 H\n0.604476 0.125653 0.230425 H\n0.534545 0.899466 0.635481 H\n0.767916 0.887366 0.284553 H\n0.703400 0.021328 0.454587 H\n0.961445 0.064080 0.097459 H\n0.632935 0.762252 0.016445 H\n0.784828 0.412134 0.491092 H\n0.315647 0.674481 0.683752 H\n0.185629 0.006989 0.616898 C\n0.289733 0.134758 0.791441 C\n0.626226 0.399464 0.540563 C\n0.632054 0.969693 0.317482 C\n0.399554 0.808130 0.285649 C\n0.265785 0.741857 0.408662 C\n0.535049 0.288764 0.840965 C\n0.696880 0.386752 0.733704 C\n0.338992 0.826528 0.593866 C\n0.067282 0.587864 0.351704 O\n0.808977 0.785101 0.033009 O\n0.052821 0.220649 0.139464 O\n0.305842 0.709677 0.129210 O\n0.912465 0.487556 0.822575 O\n0.619954 0.342963 0.003946 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O\n","nsites":10,"nelements":4,"elements":["Sr","Nd","Nb","O"],"chemical_system":"Nb-Nd-O-Sr","density":5.312470390801657,"density_atomic":0.06292958748252789,"volume":158.9077634233095,"volume_molar":9.569649191919492,"formula_full":"Sr2 Nd1 Nb1 O6","formula_reduced":"Sr2NdNbO6","formula_anonymous":"ABC2D6","energy_above_hull":2.141334452,"spacegroup":225},{"id":"jvasp-106890","created_at":"2022-09-04T14:36:46.905410Z","updated_at":"2022-09-04T14:36:46.905425Z","structure_string":"Li2 Fe1 Co1 O4\n1.0\n2.820536 0.000000 0.000000\n-0.000000 4.678587 1.646248\n-0.000000 0.008707 4.933075\nLi Fe Co O\n2 1 1 4\ndirect\n0.500001 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.500001 0.500000 Fe\n0.500001 0.000000 0.500000 Co\n0.000000 0.241779 0.279439 O\n0.500001 0.742995 0.277537 O\n0.500001 0.257006 0.722464 O\n0.000000 0.758222 0.720562 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Cl\n","nsites":10,"nelements":4,"elements":["K","Li","Pr","Cl"],"chemical_system":"Cl-K-Li-Pr","density":2.5614164777466657,"density_atomic":0.03515611341493265,"volume":284.44554953996914,"volume_molar":17.129711378852473,"formula_full":"K2 Li1 Pr1 Cl6","formula_reduced":"K2LiPrCl6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-104901","created_at":"2022-09-04T14:36:46.457463Z","updated_at":"2022-09-04T14:36:46.457490Z","structure_string":"Tm2 Mn4 Si2 C2\n1.0\n5.566879 -0.000249 0.000000\n-4.369823 3.448883 0.000000\n-0.000000 -0.000000 6.937385\nTm Mn Si C\n2 4 2 2\ndirect\n0.542661 0.457338 0.250000 Tm\n0.457339 0.542661 0.750001 Tm\n0.831742 0.168258 0.060979 Mn\n0.168258 0.831741 0.939022 Mn\n0.168258 0.831741 0.560979 Mn\n0.831742 0.168258 0.439022 Mn\n0.263941 0.736059 0.250000 Si\n0.736059 0.263941 0.750001 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 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0.040624 0.775637 O\n0.571595 0.252582 0.246295 O\n0.442107 0.762605 0.727259 F\n0.892408 0.578521 0.249207 F\n0.154547 0.410079 0.726758 F\n","nsites":14,"nelements":4,"elements":["Li","Mn","O","F"],"chemical_system":"F-Li-Mn-O","density":2.5886813819694763,"density_atomic":0.10466778674542522,"volume":133.75653040272113,"volume_molar":5.7535760975314725,"formula_full":"Li7 Mn1 O3 F3","formula_reduced":"Li7Mn(OF)3","formula_anonymous":"AB3C3D7","energy_above_hull":1.2353734706342363,"spacegroup":1}]}