{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=123","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=121","results":[{"id":"jvasp-98983","created_at":"2022-09-04T14:35:51.190264Z","updated_at":"2022-09-04T14:35:51.190290Z","structure_string":"Tb8 Si4 Se4 O16\n1.0\n6.061404 0.000000 0.000000\n0.000000 6.982388 0.000000\n0.000000 0.000000 10.848455\nTb Si Se O\n8 4 4 16\ndirect\n0.131841 0.028470 0.250000 Tb\n0.868159 0.528470 0.250000 Tb\n0.868159 0.971530 0.750000 Tb\n0.607384 0.250000 0.000000 Tb\n0.607384 0.250000 0.500000 Tb\n0.392616 0.750000 0.000000 Tb\n0.392616 0.750000 0.500000 Tb\n0.131841 0.471530 0.750000 Tb\n0.111873 0.250000 0.500000 Si\n0.888127 0.750000 0.500000 Si\n0.888127 0.750000 0.000000 Si\n0.111873 0.250000 0.000000 Si\n0.422628 0.377035 0.250000 Se\n0.422628 0.122965 0.750000 Se\n0.577371 0.877036 0.250000 Se\n0.577371 0.622965 0.750000 Se\n0.275195 0.068829 0.467799 O\n0.945268 0.259463 0.379383 O\n0.945268 0.240537 0.620618 O\n0.945268 0.240537 0.879383 O\n0.945268 0.259463 0.120617 O\n0.054732 0.759463 0.120617 O\n0.054732 0.759463 0.379383 O\n0.275195 0.068829 0.032201 O\n0.275195 0.431171 0.967799 O\n0.724804 0.568830 0.467799 O\n0.724804 0.931171 0.532201 O\n0.724804 0.931171 0.967799 O\n0.724804 0.568830 0.032201 O\n0.275195 0.431171 0.532201 O\n0.054732 0.740537 0.879383 O\n0.054732 0.740537 0.620618 O\n","nsites":32,"nelements":4,"elements":["Tb","Si","Se","O"],"chemical_system":"O-Se-Si-Tb","density":7.072590563313916,"density_atomic":0.06969552229926913,"volume":459.13996974717514,"volume_molar":8.640642269873844,"formula_full":"Tb8 Si4 Se4 O16","formula_reduced":"Tb2SiSeO4","formula_anonymous":"ABC2D4","energy_above_hull":2.078185345833333,"spacegroup":57},{"id":"jvasp-98311","created_at":"2022-09-04T14:36:20.875758Z","updated_at":"2022-09-04T14:36:20.875775Z","structure_string":"Fe8 Te4 O20\n1.0\n4.859618 0.000000 0.000000\n0.000000 7.634933 -1.621115\n0.000000 0.128571 10.649135\nFe Te O\n8 4 20\ndirect\n0.052488 0.811917 0.909558 Fe\n0.947513 0.188082 0.090442 Fe\n0.552488 0.188082 0.590441 Fe\n0.432322 0.981887 0.131304 Fe\n0.567678 0.018113 0.868695 Fe\n0.067678 0.981887 0.631304 Fe\n0.447513 0.811917 0.409558 Fe\n0.932322 0.018113 0.368696 Fe\n0.428356 0.361282 0.335453 Te\n0.571645 0.638717 0.664547 Te\n0.071644 0.361282 0.835453 Te\n0.928356 0.638717 0.164547 Te\n0.263406 0.062660 0.987081 O\n0.763406 0.937340 0.512919 O\n0.293990 0.739538 0.564819 O\n0.378313 0.082411 0.731331 O\n0.624858 0.578124 0.341120 O\n0.101154 0.758812 0.317832 O\n0.898847 0.241187 0.682168 O\n0.793990 0.260461 0.935181 O\n0.601154 0.241187 0.182169 O\n0.206010 0.739538 0.064819 O\n0.124857 0.421876 0.158881 O\n0.736595 0.937340 0.012919 O\n0.375143 0.421876 0.658880 O\n0.875143 0.578124 0.841119 O\n0.398846 0.758812 0.817831 O\n0.236595 0.062660 0.487081 O\n0.706010 0.260462 0.435181 O\n0.878314 0.917589 0.768668 O\n0.121687 0.082411 0.231331 O\n0.621687 0.917589 0.268669 O\n","nsites":32,"nelements":3,"elements":["Fe","Te","O"],"chemical_system":"Fe-O-Te","density":5.353733274662609,"density_atomic":0.0807823315892116,"volume":396.1262242680003,"volume_molar":7.454774628966331,"formula_full":"Fe8 Te4 O20","formula_reduced":"Fe2TeO5","formula_anonymous":"AB2C5","energy_above_hull":2.733298283333333,"spacegroup":14},{"id":"jvasp-99221","created_at":"2022-09-04T14:36:41.110565Z","updated_at":"2022-09-04T14:36:41.110586Z","structure_string":"Cd4 H8 Se4 O16\n1.0\n12.986013 0.000000 0.000000\n0.000000 5.969852 0.000000\n0.000000 -0.000000 5.042563\nCd H Se O\n4 8 4 16\ndirect\n0.774368 0.250000 0.085226 Cd\n0.274368 0.250000 0.414774 Cd\n0.225632 0.750000 0.914774 Cd\n0.725632 0.750000 0.585225 Cd\n0.891882 0.118179 0.537017 H\n0.391882 0.381821 0.962982 H\n0.108118 0.618179 0.462982 H\n0.608117 0.881821 0.037017 H\n0.108118 0.881821 0.462982 H\n0.608117 0.618179 0.037017 H\n0.891882 0.381821 0.537017 H\n0.391882 0.118179 0.962982 H\n0.086228 0.250000 0.005261 Se\n0.586228 0.250000 0.494738 Se\n0.913772 0.750000 -0.005261 Se\n0.413772 0.750000 0.505261 Se\n0.398453 0.250000 0.082412 O\n0.898453 0.250000 0.417588 O\n0.345189 0.531119 0.661076 O\n0.845189 0.968880 0.838923 O\n0.654811 0.031120 0.338924 O\n0.154811 0.468880 0.161076 O\n0.654811 0.468880 0.338924 O\n0.154811 0.031120 0.161076 O\n0.845189 0.531119 0.838923 O\n0.867695 0.750000 0.306381 O\n0.367695 0.750000 0.193618 O\n0.132305 0.250000 0.693618 O\n0.632305 0.250000 0.806381 O\n0.101547 0.750000 0.582412 O\n0.345189 0.968880 0.661076 O\n0.601547 0.750000 0.917588 O\n","nsites":32,"nelements":4,"elements":["Cd","H","Se","O"],"chemical_system":"Cd-H-O-Se","density":4.373213841117909,"density_atomic":0.08185764529048069,"volume":390.9225569150511,"volume_molar":7.35684582500484,"formula_full":"Cd4 H8 Se4 O16","formula_reduced":"CdH2SeO4","formula_anonymous":"ABC2D4","energy_above_hull":1.9487446395833328,"spacegroup":62},{"id":"jvasp-101989","created_at":"2022-09-04T14:36:41.310643Z","updated_at":"2022-09-04T14:36:41.310671Z","structure_string":"H22 C10\n1.0\n3.953022 0.003867 0.513322\n1.055731 4.372601 0.034733\n0.121011 -0.049282 13.351936\nH C\n22 10\ndirect\n0.050825 0.904397 0.882932 H\n0.911950 0.250394 0.437234 H\n0.088047 0.749606 0.562763 H\n0.314349 0.223923 0.481185 H\n0.685646 0.776079 0.518812 H\n0.994544 0.708586 0.336176 H\n0.005454 0.291417 0.663822 H\n0.604098 0.315399 0.619449 H\n0.226295 0.180411 0.255706 H\n0.773703 0.819592 0.744290 H\n0.627935 0.160275 0.299331 H\n0.395900 0.684602 0.380548 H\n0.300722 0.634946 0.152719 H\n0.372061 0.839724 0.700667 H\n0.450426 0.890870 0.928878 H\n0.549574 0.109130 0.071118 H\n0.193206 0.632326 0.974140 H\n0.949176 0.095603 0.117064 H\n0.301811 0.376689 0.802152 H\n0.698188 0.623313 0.197845 H\n0.699279 0.365053 0.847277 H\n0.806796 0.367674 0.025857 H\n0.909117 0.611805 0.543760 C\n0.281504 0.748997 0.906597 C\n0.718497 0.251003 0.093400 C\n0.473022 0.521780 0.821134 C\n0.526979 0.478220 0.178863 C\n0.597539 0.678442 0.725758 C\n0.402459 0.321561 0.274239 C\n0.781646 0.454446 0.638569 C\n0.218352 0.545556 0.361429 C\n0.090879 0.388196 0.456237 C\n","nsites":32,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.0252657276265358,"density_atomic":0.13886357327924773,"volume":230.4420032145478,"volume_molar":4.336731813669936,"formula_full":"H22 C10","formula_reduced":"H11C5","formula_anonymous":"A5B11","energy_above_hull":4.549251875,"spacegroup":2},{"id":"jvasp-22878","created_at":"2022-09-04T14:38:18.086532Z","updated_at":"2022-09-04T14:38:18.086574Z","structure_string":"K12 Nb4 Se16\n1.0\n9.640693 -0.000000 0.000000\n0.000000 9.702004 0.000000\n0.000000 0.000000 11.034027\nK Nb Se\n12 4 16\ndirect\n0.370952 0.588710 0.750000 K\n0.129048 0.088710 0.250000 K\n0.629047 0.411290 0.250000 K\n0.870952 0.911290 0.750000 K\n0.943621 0.707341 0.453895 K\n0.443621 0.792659 0.046105 K\n0.556378 0.207341 0.546105 K\n0.056379 0.292659 0.953895 K\n0.056379 0.292659 0.546105 K\n0.556378 0.207341 0.953895 K\n0.443621 0.792659 0.453895 K\n0.943621 0.707341 0.046105 K\n0.288157 0.015373 0.750000 Nb\n0.788157 0.484627 0.750000 Nb\n0.211843 0.515372 0.250000 Nb\n0.711843 0.984627 0.250000 Nb\n0.165486 0.948070 0.931419 Se\n0.665486 0.551929 0.568581 Se\n0.189811 0.763207 0.250000 Se\n0.689811 0.736793 0.250000 Se\n0.310189 0.263207 0.750000 Se\n0.810189 0.236793 0.750000 Se\n0.981289 0.414032 0.250000 Se\n0.481289 0.085968 0.250000 Se\n0.018711 0.585968 0.750000 Se\n0.165486 0.948070 0.568581 Se\n0.834513 0.051930 0.068581 Se\n0.665486 0.551929 0.931419 Se\n0.334514 0.448070 0.431419 Se\n0.834513 0.051930 0.431419 Se\n0.518710 0.914032 0.750000 Se\n0.334514 0.448070 0.068581 Se\n","nsites":32,"nelements":3,"elements":["K","Nb","Se"],"chemical_system":"K-Nb-Se","density":3.385518330995795,"density_atomic":0.03100603502730832,"volume":1032.0571453852856,"volume_molar":19.42247938085617,"formula_full":"K12 Nb4 Se16","formula_reduced":"K3NbSe4","formula_anonymous":"AB3C4","energy_above_hull":1.0559771083333334,"spacegroup":62},{"id":"jvasp-23724","created_at":"2022-09-04T14:37:34.093415Z","updated_at":"2022-09-04T14:37:34.093441Z","structure_string":"Ti20 Sb12\n1.0\n7.209585 -0.000000 0.000000\n-0.000000 8.348185 0.000000\n0.000000 0.000000 10.216298\nTi Sb\n20 12\ndirect\n0.793878 0.936337 0.053800 Ti\n0.826100 0.750000 0.782097 Ti\n0.326099 0.250000 0.717903 Ti\n0.173901 0.250000 0.217903 Ti\n0.673901 0.750000 0.282097 Ti\n0.521429 0.250000 0.995578 Ti\n0.978572 0.250000 0.495578 Ti\n0.478572 0.750000 0.004422 Ti\n0.317319 0.750000 0.735513 Ti\n0.817319 0.250000 0.764487 Ti\n0.021429 0.750000 0.504422 Ti\n0.182681 0.750000 0.235513 Ti\n0.293878 0.436336 0.446200 Ti\n0.793878 0.563664 0.053800 Ti\n0.706123 0.936337 0.553800 Ti\n0.206122 0.063664 0.946200 Ti\n0.706123 0.563664 0.553800 Ti\n0.206122 0.436336 0.946200 Ti\n0.293878 0.063664 0.446200 Ti\n0.682682 0.250000 0.264487 Ti\n0.909357 0.250000 0.025936 Sb\n0.409357 0.750000 0.474065 Sb\n0.435089 0.008867 0.179021 Sb\n0.935089 0.991133 0.320979 Sb\n0.564912 0.508868 0.820979 Sb\n0.435089 0.491133 0.179021 Sb\n0.564912 0.991133 0.820979 Sb\n0.064911 0.008867 0.679021 Sb\n0.935089 0.508868 0.320979 Sb\n0.590644 0.250000 0.525936 Sb\n0.064911 0.491133 0.679021 Sb\n0.090643 0.750000 0.974065 Sb\n","nsites":32,"nelements":2,"elements":["Ti","Sb"],"chemical_system":"Sb-Ti","density":6.531187061632465,"density_atomic":0.05204201394756492,"volume":614.8878103034539,"volume_molar":11.57169045392368,"formula_full":"Ti20 Sb12","formula_reduced":"Ti5Sb3","formula_anonymous":"A3B5","energy_above_hull":3.4320537458333336,"spacegroup":62},{"id":"jvasp-87881","created_at":"2022-09-04T14:36:13.299866Z","updated_at":"2022-09-04T14:36:13.299900Z","structure_string":"Y8 Hf4 S20\n1.0\n7.245971 -0.000000 0.000000\n-0.000000 7.732003 0.000000\n0.000000 0.000000 11.523752\nY Hf S\n8 4 20\ndirect\n0.023938 0.997506 0.178399 Y\n0.523937 0.002493 0.321601 Y\n0.976062 0.497506 0.821601 Y\n0.476062 0.502493 0.678398 Y\n0.523937 0.497506 0.321601 Y\n0.023938 0.502493 0.178399 Y\n0.476062 0.997506 0.678398 Y\n0.976062 0.002493 0.821601 Y\n0.075713 0.750000 0.494174 Hf\n0.924287 0.250000 0.505826 Hf\n0.424287 0.750000 0.994174 Hf\n0.575713 0.250000 0.005826 Hf\n0.338257 0.463551 0.907174 S\n0.838257 0.536449 0.592826 S\n0.661743 0.963550 0.092826 S\n0.161743 0.036449 0.407174 S\n0.311724 0.750000 0.207484 S\n0.338257 0.036449 0.907174 S\n0.838257 0.963550 0.592826 S\n0.667112 0.750000 0.819004 S\n0.167112 0.250000 0.680996 S\n0.332888 0.250000 0.180996 S\n0.832888 0.750000 0.319004 S\n0.447790 0.750000 0.496681 S\n0.947790 0.250000 0.003318 S\n0.552209 0.250000 0.503318 S\n0.052209 0.750000 0.996681 S\n0.188276 0.750000 0.707484 S\n0.688276 0.250000 0.792516 S\n0.811724 0.250000 0.292516 S\n0.161743 0.463551 0.407174 S\n0.661743 0.536449 0.092826 S\n","nsites":32,"nelements":3,"elements":["Y","Hf","S"],"chemical_system":"Hf-S-Y","density":5.3150019400938175,"density_atomic":0.04956412796160822,"volume":645.628225816599,"volume_molar":12.150200170301954,"formula_full":"Y8 Hf4 S20","formula_reduced":"Y2HfS5","formula_anonymous":"AB2C5","energy_above_hull":2.7650167375,"spacegroup":62},{"id":"jvasp-95551","created_at":"2022-09-04T14:35:51.400583Z","updated_at":"2022-09-04T14:35:51.400613Z","structure_string":"Ca8 C4 O12 F8\n1.0\n6.512885 -0.000000 0.000000\n0.000000 7.557026 0.000000\n0.000000 0.000000 7.685576\nCa C O F\n8 4 12 8\ndirect\n0.533138 0.838508 0.675263 Ca\n0.966861 0.838508 0.324737 Ca\n0.466861 0.661493 0.175263 Ca\n0.466861 0.161492 0.324737 Ca\n0.966861 0.338508 0.175263 Ca\n0.033138 0.161492 0.675263 Ca\n0.533138 0.338508 0.824737 Ca\n0.033138 0.661493 0.824737 Ca\n0.749999 0.470868 0.500000 C\n0.250000 0.029133 0.000000 C\n0.250000 0.529133 0.500000 C\n0.749999 0.970868 0.000000 C\n0.822415 0.554626 0.367344 O\n0.322416 0.445375 0.367344 O\n0.177584 0.445375 0.632657 O\n0.822415 0.054626 0.132656 O\n0.322416 0.945375 0.132656 O\n0.677583 0.054626 0.867344 O\n0.677583 0.554626 0.632657 O\n0.749999 0.298162 0.500000 O\n0.250000 0.701838 0.500000 O\n0.749999 0.798163 0.000000 O\n0.250000 0.201838 0.000000 O\n0.177584 0.945375 0.867344 O\n0.602983 0.378609 0.120232 F\n0.102983 0.121391 0.379769 F\n0.897016 0.378609 0.879769 F\n0.397017 0.621391 0.879769 F\n0.602983 0.878609 0.379769 F\n0.102983 0.621391 0.120232 F\n0.397017 0.121391 0.620232 F\n0.897016 0.878609 0.620232 F\n","nsites":32,"nelements":4,"elements":["Ca","C","O","F"],"chemical_system":"C-Ca-F-O","density":3.12840307960347,"density_atomic":0.08459588353336596,"volume":378.2689968286541,"volume_molar":7.1187160751442145,"formula_full":"Ca8 C4 O12 F8","formula_reduced":"Ca2CO3F2","formula_anonymous":"AB2C2D3","energy_above_hull":1.3782027381250002,"spacegroup":60},{"id":"jvasp-29471","created_at":"2022-09-04T14:37:52.241370Z","updated_at":"2022-09-04T14:37:52.241393Z","structure_string":"Ag4 Te4 N4 O20\n1.0\n5.373362 -0.000000 0.000000\n0.000000 5.569491 0.000000\n0.000000 0.000000 14.100129\nAg Te N O\n4 4 4 20\ndirect\n0.250000 0.500000 0.613787 Ag\n0.750000 0.500000 0.386213 Ag\n0.250000 0.000000 0.113787 Ag\n0.750000 0.000000 0.886213 Ag\n0.750000 0.000000 0.564055 Te\n0.250000 0.000000 0.435945 Te\n0.250000 0.500000 0.935945 Te\n0.750000 0.500000 0.064055 Te\n0.250000 0.500000 0.255472 N\n0.250000 0.000000 0.755472 N\n0.750000 0.500000 0.744528 N\n0.750000 0.000000 0.244528 N\n0.609168 0.355735 0.788473 O\n0.437225 0.207390 0.523015 O\n0.437225 0.292610 0.023015 O\n0.062774 0.792610 0.523015 O\n0.250000 0.000000 0.846330 O\n0.890831 0.644264 0.788473 O\n0.750000 0.000000 0.153670 O\n0.062774 0.707389 0.023015 O\n0.250000 0.500000 0.346330 O\n0.390831 0.644264 0.211527 O\n0.609168 0.144264 0.288473 O\n0.390831 0.855735 0.711527 O\n0.109169 0.355735 0.211527 O\n0.562774 0.707389 0.976985 O\n0.562774 0.792610 0.476985 O\n0.890831 0.855735 0.288473 O\n0.109169 0.144264 0.711527 O\n0.937225 0.292610 0.976985 O\n0.750000 0.500000 0.653670 O\n0.937225 0.207390 0.476985 O\n","nsites":32,"nelements":4,"elements":["Ag","Te","N","O"],"chemical_system":"Ag-N-O-Te","density":5.186122573226691,"density_atomic":0.07583423082909954,"volume":421.97302788123983,"volume_molar":7.941190533825722,"formula_full":"Ag4 Te4 N4 O20","formula_reduced":"AgTeNO5","formula_anonymous":"ABCD5","energy_above_hull":2.522920722083333,"spacegroup":60},{"id":"jvasp-101812","created_at":"2022-09-04T14:36:49.170846Z","updated_at":"2022-09-04T14:36:49.170873Z","structure_string":"H16 C14 S2\n1.0\n5.947373 -0.224143 -0.174680\n-2.113521 6.934417 -2.211785\n0.338682 -0.815705 7.687342\nH C S\n16 14 2\ndirect\n0.430495 0.320144 0.788849 H\n0.594539 0.916670 0.691240 H\n0.611042 0.923810 0.981289 H\n0.045056 0.719013 0.078988 H\n0.041634 0.711526 0.417612 H\n0.421521 0.658607 0.588457 H\n0.421362 0.672344 0.884465 H\n0.929968 0.820561 0.790588 H\n0.742667 0.562208 0.692192 H\n0.094847 0.416397 0.689712 H\n0.112395 0.424213 0.979996 H\n0.546195 0.220062 0.077988 H\n0.542653 0.212396 0.416547 H\n0.921985 0.158275 0.586859 H\n0.921995 0.172990 0.883342 H\n0.242784 0.061931 0.690816 H\n0.243109 0.220941 0.753089 C\n0.107403 0.261327 0.613743 C\n0.111630 0.265305 0.929912 C\n0.191221 0.243191 0.425583 C\n0.189937 0.239350 0.098353 C\n0.395321 0.225040 0.345796 C\n0.394909 0.223583 0.159656 C\n0.610850 0.765059 0.931241 C\n0.606979 0.761566 0.615274 C\n0.690676 0.743301 0.427061 C\n0.689245 0.739302 0.099773 C\n0.894485 0.724585 0.347041 C\n0.893988 0.723039 0.160866 C\n0.742674 0.721142 0.754601 C\n-0.000679 0.257770 0.271039 S\n0.498945 0.758346 0.272718 S\n","nsites":32,"nelements":3,"elements":["H","C","S"],"chemical_system":"C-H-S","density":1.3616057544979867,"density_atomic":0.10563034758362112,"volume":302.9432424679616,"volume_molar":5.701146401352734,"formula_full":"H16 C14 S2","formula_reduced":"H8C7S","formula_anonymous":"AB7C8","energy_above_hull":5.046143125,"spacegroup":1},{"id":"jvasp-97389","created_at":"2022-09-04T14:35:51.348805Z","updated_at":"2022-09-04T14:35:51.348828Z","structure_string":"Al4 Fe4 P4 O20\n1.0\n5.480674 0.006217 0.000007\n-1.055706 7.100451 -0.000014\n0.000017 -0.000018 10.477460\nAl Fe P O\n4 4 4 20\ndirect\n0.546324 0.360085 0.174596 Al\n0.953676 0.639916 0.674597 Al\n0.046323 0.360084 0.325403 Al\n0.453677 0.639915 0.825405 Al\n0.102320 0.016837 0.142019 Fe\n0.897679 0.983164 0.857982 Fe\n0.602318 0.016837 0.357981 Fe\n0.397681 0.983163 0.642019 Fe\n0.441624 0.221794 0.901852 P\n0.558374 0.778206 0.098149 P\n0.941626 0.221793 0.598148 P\n0.058373 0.778207 0.401852 P\n0.603607 0.607711 0.179230 O\n0.396391 0.392289 0.820771 O\n0.896392 0.392288 0.679229 O\n0.103606 0.607712 0.320771 O\n0.691425 0.117756 0.548116 O\n0.259824 0.727616 0.715013 O\n0.240176 0.272385 0.215014 O\n0.108281 0.288187 0.482791 O\n0.391718 0.711812 0.982792 O\n0.891718 0.711813 0.517209 O\n0.608281 0.288188 0.017209 O\n0.429436 0.913971 0.180864 O\n0.070565 0.086029 0.680862 O\n0.570564 0.086029 0.819137 O\n0.929435 0.913971 0.319139 O\n0.191423 0.117756 0.951884 O\n0.308574 0.882244 0.451885 O\n0.808575 0.882244 0.048117 O\n0.759825 0.727615 0.784986 O\n0.740175 0.272384 0.284987 O\n","nsites":32,"nelements":4,"elements":["Al","Fe","P","O"],"chemical_system":"Al-Fe-O-P","density":3.156513530235248,"density_atomic":0.07846948842997568,"volume":407.80181749949907,"volume_molar":7.674499834893171,"formula_full":"Al4 Fe4 P4 O20","formula_reduced":"AlFePO5","formula_anonymous":"ABCD5","energy_above_hull":2.6425014125,"spacegroup":14},{"id":"jvasp-101932","created_at":"2022-09-04T14:36:58.246767Z","updated_at":"2022-09-04T14:36:58.246780Z","structure_string":"Mg2 H12 C10 O8\n1.0\n6.171692 -0.102156 1.107783\n1.164972 6.540657 0.596264\n0.023679 0.244495 7.448251\nMg H C O\n2 12 10 8\ndirect\n0.032485 0.883003 0.570051 Mg\n0.523060 0.808227 0.692154 Mg\n0.084781 0.228348 0.114562 H\n0.399902 0.317278 0.108705 H\n0.797426 0.371748 0.562168 H\n0.619614 0.464381 0.125611 H\n0.547583 0.742664 0.269247 H\n0.348334 0.953507 0.213919 H\n0.003939 0.478371 0.937232 H\n0.227714 0.626089 0.147938 H\n0.823312 0.714993 0.966782 H\n-0.022228 0.784203 0.218401 H\n0.863472 0.266370 0.877816 H\n0.584723 0.995131 0.297893 H\n0.564809 0.350102 0.060047 C\n0.048586 0.636249 0.165681 C\n0.694737 0.244126 -0.069884 C\n0.969866 0.464870 0.301322 C\n0.461018 0.892754 0.311208 C\n0.009001 0.257724 0.256733 C\n-0.009856 0.634334 0.974572 C\n0.616351 0.089696 0.846757 C\n0.862534 0.499849 0.476508 C\n0.275704 0.329966 0.596389 C\n0.828311 0.673792 0.548426 O\n0.348164 0.871700 0.494635 O\n0.432205 0.338176 0.490977 O\n0.425881 0.041277 0.886523 O\n0.130657 0.737178 0.832439 O\n0.753836 -0.005651 0.720414 O\n0.968327 0.103555 0.366113 O\n0.351188 0.601448 0.827357 O\n","nsites":32,"nelements":4,"elements":["Mg","H","C","O"],"chemical_system":"C-H-Mg-O","density":1.70478811862323,"density_atomic":0.10638575485150857,"volume":300.7921506470961,"volume_molar":5.660664595937305,"formula_full":"Mg2 H12 C10 O8","formula_reduced":"MgH6C5O4","formula_anonymous":"AB4C5D6","energy_above_hull":4.205131440625,"spacegroup":1}]}