{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=531","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=spacegroup&page=529","results":[{"id":"jvasp-115400","created_at":"2022-09-04T14:38:44.886584Z","updated_at":"2022-09-04T14:38:44.886600Z","structure_string":"Pd1 F3\n1.0\n4.912772 0.758892 -0.880808\n-2.469913 -3.881112 0.011285\n0.293209 1.169233 -2.984520\nPd F\n1 3\ndirect\n0.804612 0.219175 0.598482 Pd\n0.930865 0.036512 0.945026 F\n0.678363 0.401846 0.251947 F\n0.304596 0.719197 0.598523 F\n","nsites":4,"nelements":2,"elements":["Pd","F"],"chemical_system":"F-Pd","density":5.140243168204877,"density_atomic":0.07577083671960876,"volume":52.79075925744448,"volume_molar":7.947834576890094,"formula_full":"Pd1 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O\n","nsites":14,"nelements":4,"elements":["Li","V","Fe","O"],"chemical_system":"Fe-Li-O-V","density":5.209421032712882,"density_atomic":0.10731774490038963,"volume":130.45372890563945,"volume_molar":5.61150512954744,"formula_full":"Li1 V1 Fe4 O8","formula_reduced":"LiV(FeO2)4","formula_anonymous":"ABC4D8","energy_above_hull":3.2447831571428574,"spacegroup":12},{"id":"jvasp-112854","created_at":"2022-09-04T14:38:44.945465Z","updated_at":"2022-09-04T14:38:44.945491Z","structure_string":"Mn8 O4 F12\n1.0\n5.344509 -0.040426 1.966783\n1.696824 5.068156 1.966783\n-0.071522 -0.051069 10.472092\nMn O F\n8 4 12\ndirect\n0.263744 0.263744 0.017691 Mn\n0.879491 0.367572 0.749957 Mn\n0.120509 0.632427 0.250043 Mn\n0.736256 0.736256 0.982308 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.367573 0.879491 0.749957 Mn\n0.632427 0.120509 0.250043 Mn\n0.667533 0.667533 0.836933 O\n0.332467 0.332467 0.163067 O\n0.076308 0.076308 0.660425 O\n0.923692 0.923692 0.339574 O\n0.440484 0.440484 0.341617 F\n0.091287 0.597058 0.597963 F\n0.189657 0.189656 0.857226 F\n0.559516 0.559516 0.658382 F\n0.810343 0.810344 0.142774 F\n0.908713 0.402942 0.402036 F\n0.145725 0.656616 0.903801 F\n0.656616 0.145725 0.903801 F\n0.597058 0.091286 0.597963 F\n0.854275 0.343384 0.096198 F\n0.343384 0.854275 0.096198 F\n0.402942 0.908713 0.402036 F\n","nsites":24,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.255099276383567,"density_atomic":0.08407516410795653,"volume":285.45885404615865,"volume_molar":7.1628058343927625,"formula_full":"Mn8 O4 F12","formula_reduced":"Mn2OF3","formula_anonymous":"AB2C3","energy_above_hull":1.5547431383764367,"spacegroup":12},{"id":"jvasp-111977","created_at":"2022-09-04T14:38:44.946471Z","updated_at":"2022-09-04T14:38:44.946497Z","structure_string":"Na4 Fe2 O6\n1.0\n5.133278 -0.001467 -0.829080\n2.773871 4.319461 0.829248\n-0.002801 0.005053 5.574242\nNa Fe O\n4 2 6\ndirect\n0.157160 0.157157 0.500003 Na\n0.842844 0.842845 0.499996 Na\n0.500002 0.500000 0.500002 Na\n-0.000000 0.000004 -0.000000 Na\n0.667252 0.667255 0.000000 Fe\n0.332747 0.332754 0.000000 Fe\n0.309454 0.690552 0.801793 O\n0.067421 0.554161 0.197195 O\n0.445839 0.932576 0.197198 O\n0.932580 0.445845 0.802806 O\n0.554161 0.067429 0.802803 O\n0.690547 0.309453 0.198208 O\n","nsites":12,"nelements":3,"elements":["Na","Fe","O"],"chemical_system":"Fe-Na-O","density":4.026415709803039,"density_atomic":0.09710532221266858,"volume":123.57716061864271,"volume_molar":6.201658799721625,"formula_full":"Na4 Fe2 O6","formula_reduced":"Na2FeO3","formula_anonymous":"AB2C3","energy_above_hull":1.434679,"spacegroup":12},{"id":"jvasp-113179","created_at":"2022-09-04T14:38:45.004921Z","updated_at":"2022-09-04T14:38:45.004947Z","structure_string":"Ba2 Mn6 O12\n1.0\n3.887730 0.000006 -0.741747\n-0.146846 5.622019 -0.769495\n0.003657 0.009122 10.577913\nBa Mn O\n2 6 12\ndirect\n0.069857 0.285061 0.139697 Ba\n0.930142 0.714942 0.860301 Ba\n0.563378 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0.194721\n1.524804 -3.934711 0.092333\n-2.872002 -1.193432 -4.114047\nIn I\n2 1\ndirect\n0.038188 0.590049 0.505439 In\n0.595728 0.305960 0.069164 In\n0.317126 -0.052131 0.287507 I\n","nsites":3,"nelements":2,"elements":["In","I"],"chemical_system":"I-In","density":5.233096289760442,"density_atomic":0.026516857240746206,"volume":113.13557910588871,"volume_molar":22.710612744659226,"formula_full":"In2 I1","formula_reduced":"In2I","formula_anonymous":"AB2","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-117486","created_at":"2022-09-04T14:38:45.295746Z","updated_at":"2022-09-04T14:38:45.295780Z","structure_string":"B2 H1\n1.0\n2.231167 -0.051495 0.207267\n-0.084502 -3.574238 0.021450\n-0.911741 -1.348281 -2.639544\nB H\n2 1\ndirect\n0.356499 0.698951 0.423119 B\n0.120403 0.553121 -0.049062 B\n0.238313 0.126043 0.186894 H\n","nsites":3,"nelements":2,"elements":["B","H"],"chemical_system":"B-H","density":1.8353220481900252,"density_atomic":0.14652139225227329,"volume":20.4748259205369,"volume_molar":4.110076124332326,"formula_full":"B2 H1","formula_reduced":"B2H","formula_anonymous":"AB2","energy_above_hull":3.5180217222222225,"spacegroup":12},{"id":"jvasp-117082","created_at":"2022-09-04T14:38:45.270391Z","updated_at":"2022-09-04T14:38:45.270416Z","structure_string":"Li8 Co2 O2 F10\n1.0\n4.858402 -0.018727 -2.204937\n-2.654661 6.711814 0.000827\n0.105741 0.041283 6.483885\nLi Co O F\n8 2 2 10\ndirect\n0.725651 0.681638 0.618723 Li\n0.725651 0.181637 0.618721 Li\n0.274732 0.318877 0.383120 Li\n0.274731 0.818878 0.383121 Li\n0.670170 0.167737 0.198381 Li\n0.670171 0.667738 0.198383 Li\n0.330204 0.832782 0.803461 Li\n0.330203 0.332782 0.803459 Li\n0.000173 0.500258 0.000914 Co\n0.000172 0.000253 0.000914 Co\n0.000172 0.750256 0.000909 O\n0.000173 0.250253 0.000909 O\n0.000177 0.750265 0.500901 F\n0.000178 0.250263 0.500900 F\n0.703422 0.426059 0.122734 F\n0.703421 0.926058 0.122733 F\n0.296905 0.574448 0.879079 F\n0.296907 0.074450 0.879080 F\n0.628758 0.407405 0.678724 F\n0.628758 0.907406 0.678725 F\n0.371592 0.593104 0.323105 F\n0.371592 0.093104 0.323104 F\n","nsites":22,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":3.08357460021103,"density_atomic":0.10332761315285752,"volume":212.91501205446738,"volume_molar":5.82820078413227,"formula_full":"Li8 Co2 O2 F10","formula_reduced":"Li4CoOF5","formula_anonymous":"ABC4D5","energy_above_hull":0.6114568920454546,"spacegroup":12},{"id":"jvasp-104982","created_at":"2022-09-04T14:38:45.351607Z","updated_at":"2022-09-04T14:38:45.351627Z","structure_string":"Nb2 W2 N6\n1.0\n3.876257 -0.001666 -0.001001\n-1.936024 5.144513 -0.067346\n0.001866 0.009894 6.887332\nNb W N\n2 2 6\ndirect\n0.281631 0.063262 0.668307 Nb\n0.718371 0.936736 0.331693 Nb\n0.619530 0.739069 0.923648 W\n0.380472 0.260929 0.076351 W\n0.452306 0.404567 0.787603 N\n0.547696 0.595431 0.212397 N\n0.709191 0.918388 0.638558 N\n0.290811 0.081610 0.361442 N\n0.175601 0.851207 0.936629 N\n0.824401 0.148791 0.063370 N\n","nsites":10,"nelements":3,"elements":["Nb","W","N"],"chemical_system":"N-Nb-W","density":7.70913904991003,"density_atomic":0.07282058093594806,"volume":137.32381521092034,"volume_molar":8.269833449003913,"formula_full":"Nb2 W2 N6","formula_reduced":"NbWN3","formula_anonymous":"ABC3","energy_above_hull":6.032831829999999,"spacegroup":12},{"id":"jvasp-112931","created_at":"2022-09-04T14:38:45.332325Z","updated_at":"2022-09-04T14:38:45.332355Z","structure_string":"Yb2 Mo2 Cl2 O8\n1.0\n6.418967 -0.058450 1.397892\n2.776737 5.787597 1.397892\n-0.002510 -0.001564 6.883566\nYb Mo Cl O\n2 2 2 8\ndirect\n0.720960 0.720960 0.138637 Yb\n0.279041 0.279042 0.861363 Yb\n0.647032 0.647032 0.720259 Mo\n0.352969 0.352969 0.279741 Mo\n0.022889 0.022889 0.132856 Cl\n0.977111 0.977112 0.867144 Cl\n0.495503 0.890916 0.853246 O\n0.514614 0.514614 0.250190 O\n0.890915 0.495504 0.853246 O\n0.485386 0.485387 0.749810 O\n0.504497 0.109085 0.146753 O\n0.109086 0.504497 0.146753 O\n0.727970 0.727970 0.466147 O\n0.272030 0.272031 0.533853 O\n","nsites":14,"nelements":4,"elements":["Yb","Mo","Cl","O"],"chemical_system":"Cl-Mo-O-Yb","density":4.763394476079788,"density_atomic":0.05450166850470755,"volume":256.8728698423381,"volume_molar":11.049461282969423,"formula_full":"Yb2 Mo2 Cl2 O8","formula_reduced":"YbMoClO4","formula_anonymous":"ABCD4","energy_above_hull":2.097922095357143,"spacegroup":12},{"id":"jvasp-112907","created_at":"2022-09-04T14:38:45.417487Z","updated_at":"2022-09-04T14:38:45.417515Z","structure_string":"Li6 Co4 O10\n1.0\n2.827960 -0.044710 0.015091\n-1.337120 4.663075 -0.953561\n-0.067216 -0.057807 12.371083\nLi Co O\n6 4 10\ndirect\n0.399925 0.299650 0.296638 Li\n-0.000001 0.500000 0.500000 Li\n0.600074 0.700350 0.703362 Li\n0.195457 0.891157 0.909160 Li\n0.804542 0.108843 0.090840 Li\n0.500000 0.500000 0.000000 Li\n0.699994 0.899980 0.399911 Co\n0.300005 0.100021 0.600089 Co\n0.101091 0.702268 0.195119 Co\n0.898908 0.297732 0.804881 Co\n0.847229 0.194506 0.937117 O\n0.736147 0.972117 0.254332 O\n0.335699 0.171135 0.451717 O\n0.933464 0.366711 0.650957 O\n0.531240 0.562157 0.842465 O\n0.152770 0.805495 0.062883 O\n0.066535 0.633290 0.349042 O\n0.664300 0.828865 0.548282 O\n0.263852 0.027884 0.745668 O\n0.468759 0.437844 0.157534 O\n","nsites":20,"nelements":3,"elements":["Li","Co","O"],"chemical_system":"Co-Li-O","density":4.476408988414621,"density_atomic":0.1232704286575768,"volume":162.24491321885822,"volume_molar":4.885308524989744,"formula_full":"Li6 Co4 O10","formula_reduced":"Li3Co2O5","formula_anonymous":"A2B3C5","energy_above_hull":2.30741893,"spacegroup":12}]}