{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3438","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3436","results":[{"id":"jvasp-11008","created_at":"2022-09-04T14:37:07.032811Z","updated_at":"2022-09-04T14:37:07.032836Z","structure_string":"Tm6 Fe2 Si6\n1.0\n4.064049 -0.000000 0.670657\n2.003289 5.165074 0.509462\n0.002764 -0.042337 12.632242\nTm Fe Si\n6 2 6\ndirect\n0.748666 0.732288 0.770380 Tm\n0.251334 0.267711 0.229620 Tm\n0.523872 0.331975 0.620281 Tm\n0.476128 0.668024 0.379719 Tm\n0.399363 0.282262 0.919010 Tm\n0.600637 0.717737 0.080990 Tm\n0.752800 0.079323 0.415076 Fe\n0.247200 0.920675 0.584924 Fe\n0.143563 0.256747 0.456127 Si\n0.856438 0.743252 0.543873 Si\n0.116365 0.842510 0.924756 Si\n0.883635 0.157488 0.075244 Si\n0.053391 0.135317 0.757900 Si\n0.946610 0.864682 0.242100 Si\n","nsites":14,"nelements":3,"elements":["Tm","Fe","Si"],"chemical_system":"Fe-Si-Tm","density":8.10155474822225,"density_atomic":0.05279312741418232,"volume":265.186032457684,"volume_molar":11.407054393186442,"formula_full":"Tm6 Fe2 Si6","formula_reduced":"Tm3FeSi3","formula_anonymous":"AB3C3","energy_above_hull":2.6456620071428567,"spacegroup":12},{"id":"jvasp-44767","created_at":"2022-09-04T14:38:07.740561Z","updated_at":"2022-09-04T14:38:07.740588Z","structure_string":"Li2 V2 Fe2 O8\n1.0\n5.839708 -0.239325 -0.090237\n0.207213 5.840936 0.090237\n-3.007133 -2.818431 4.145023\nLi V Fe O\n2 2 2 8\ndirect\n0.000000 -0.000000 0.500000 Li\n-0.000000 0.500001 0.000000 Li\n0.376928 0.626928 0.750000 V\n0.623072 0.373072 0.250000 V\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000001 0.499999 Fe\n0.253576 0.255769 0.502193 O\n0.261916 0.752920 0.508997 O\n0.743923 0.752920 0.991002 O\n0.746424 0.248617 0.002193 O\n0.253575 0.751382 -0.002193 O\n0.256077 0.247080 0.008997 O\n0.738084 0.247080 0.491002 O\n0.746424 0.744231 0.497806 O\n","nsites":14,"nelements":4,"elements":["Li","V","Fe","O"],"chemical_system":"Fe-Li-O-V","density":4.168132996521929,"density_atomic":0.09886481163375929,"volume":141.60751200196927,"volume_molar":6.091288356780345,"formula_full":"Li2 V2 Fe2 O8","formula_reduced":"LiVFeO4","formula_anonymous":"ABCD4","energy_above_hull":2.645913385714286,"spacegroup":74},{"id":"jvasp-119692","created_at":"2022-09-04T14:38:50.390135Z","updated_at":"2022-09-04T14:38:50.390173Z","structure_string":"V6 O8 F4\n1.0\n4.623959 -0.027189 0.012688\n0.045246 7.518622 -0.608680\n-0.015538 -0.035980 5.489860\nV O F\n6 8 4\ndirect\n0.010249 0.675185 0.689441 V\n0.513333 0.355747 0.824556 V\n0.013340 0.977589 0.008777 V\n0.510260 0.658143 0.143909 V\n0.470910 0.012178 0.482745 V\n0.970909 0.321153 0.350585 V\n0.200845 0.905027 0.697420 O\n0.700854 0.428312 0.135912 O\n0.298490 0.569462 0.864568 O\n0.798487 0.763867 0.968779 O\n0.802683 0.092480 0.296845 O\n0.305424 0.889867 0.200413 O\n0.805429 0.443464 0.632908 O\n0.302690 0.240845 0.536474 O\n0.696425 0.766327 0.465924 F\n0.701633 0.105701 0.799554 F\n0.201597 0.227651 0.033758 F\n0.196447 0.567000 0.367436 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.4361846726356156,"density_atomic":0.09435640404537346,"volume":190.76606598259386,"volume_molar":6.382333897659043,"formula_full":"V6 O8 F4","formula_reduced":"V3(O2F)2","formula_anonymous":"A2B3C4","energy_above_hull":2.6460663516666667,"spacegroup":4},{"id":"jvasp-108777","created_at":"2022-09-04T14:38:16.670820Z","updated_at":"2022-09-04T14:38:16.670847Z","structure_string":"Ge2 Mo2 As2\n1.0\n4.377055 -0.004104 2.305991\n3.126996 3.062765 2.305991\n0.011491 0.004684 7.727567\nGe Mo As\n2 2 2\ndirect\n0.396818 0.396815 0.897027 Ge\n0.603185 0.603184 0.102973 Ge\n0.154611 0.154609 0.799056 Mo\n0.845392 0.845389 0.200944 Mo\n0.854701 0.854697 0.537013 As\n0.145302 0.145301 0.462987 As\n","nsites":6,"nelements":3,"elements":["Ge","Mo","As"],"chemical_system":"As-Ge-Mo","density":7.805918364360297,"density_atomic":0.057915437722986324,"volume":103.599320593905,"volume_molar":10.398161520947713,"formula_full":"Ge2 Mo2 As2","formula_reduced":"GeMoAs","formula_anonymous":"ABC","energy_above_hull":2.646254533333333,"spacegroup":12},{"id":"jvasp-74847","created_at":"2022-09-04T14:36:03.765126Z","updated_at":"2022-09-04T14:36:03.765152Z","structure_string":"Ta1 Be2 Cl1\n1.0\n2.875733 0.000000 0.000000\n0.000000 2.875733 0.000000\n0.000000 0.000000 7.732156\nTa Be Cl\n1 2 1\ndirect\n0.499999 0.499999 0.789516 Ta\n0.000000 0.000000 0.015043 Be\n0.499999 0.499999 0.125551 Be\n0.000000 0.000000 0.569893 Cl\n","nsites":4,"nelements":3,"elements":["Ta","Be","Cl"],"chemical_system":"Be-Cl-Ta","density":6.0877350716686855,"density_atomic":0.06255503357624205,"volume":63.94369519640336,"volume_molar":9.626948329681921,"formula_full":"Ta1 Be2 Cl1","formula_reduced":"TaBe2Cl","formula_anonymous":"ABC2","energy_above_hull":2.6463388668749994,"spacegroup":99},{"id":"jvasp-121323","created_at":"2022-09-04T14:38:54.418893Z","updated_at":"2022-09-04T14:38:54.418908Z","structure_string":"Mn8 Br4 O12\n1.0\n5.821269 -0.000000 0.000000\n0.000000 6.561633 0.000000\n-0.000000 -0.000000 8.396976\nMn Br O\n8 4 12\ndirect\n0.500000 0.000000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.684689 0.250000 0.249882 Mn\n0.184689 0.250000 0.250118 Mn\n0.315312 0.750000 0.750118 Mn\n0.815312 0.750000 0.749883 Mn\n0.149438 0.250000 0.545405 Br\n0.649438 0.250000 0.954595 Br\n0.850562 0.750000 0.454595 Br\n0.350562 0.750000 0.045405 Br\n0.937728 0.441211 0.221469 O\n0.676391 0.250000 0.479199 O\n0.176391 0.250000 0.020801 O\n0.323609 0.750000 0.520802 O\n0.823609 0.750000 0.979199 O\n0.937728 0.058789 0.221469 O\n0.437727 0.441211 0.278531 O\n0.062273 0.558789 0.778532 O\n0.562273 0.941210 0.721469 O\n0.062273 0.941210 0.778532 O\n0.562273 0.558789 0.721469 O\n0.437727 0.058789 0.278531 O\n","nsites":24,"nelements":3,"elements":["Mn","Br","O"],"chemical_system":"Br-Mn-O","density":4.924121629707218,"density_atomic":0.07482706747627423,"volume":320.7395506660714,"volume_molar":8.048078005875974,"formula_full":"Mn8 Br4 O12","formula_reduced":"Mn2BrO3","formula_anonymous":"AB2C3","energy_above_hull":2.646453181293104,"spacegroup":62},{"id":"jvasp-59896","created_at":"2022-09-04T14:37:02.731851Z","updated_at":"2022-09-04T14:37:02.731874Z","structure_string":"Y2 Co4 S8\n1.0\n6.887297 -0.120065 -0.177575\n-3.272315 -6.102641 0.055693\n-3.292316 1.537139 -5.894911\nY Co S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500001 Y\n-0.000000 -0.000000 0.500000 Co\n0.500001 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.063385 0.775072 0.319156 S\n0.009730 0.742475 0.727471 S\n0.436624 0.180850 0.724941 S\n0.509750 0.227472 0.242482 S\n0.563378 0.819151 0.275061 S\n0.990271 0.257526 0.272530 S\n0.490251 0.772529 0.757519 S\n0.936616 0.224929 0.680845 S\n","nsites":14,"nelements":3,"elements":["Y","Co","S"],"chemical_system":"Co-S-Y","density":4.380985304021266,"density_atomic":0.055123164039966366,"volume":253.97671276361194,"volume_molar":10.92488224303257,"formula_full":"Y2 Co4 S8","formula_reduced":"Y(CoS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.6464638928571427,"spacegroup":15},{"id":"jvasp-7916","created_at":"2022-09-04T14:36:44.041091Z","updated_at":"2022-09-04T14:36:44.041109Z","structure_string":"U1 Ge2 Pt2\n1.0\n4.076738 -0.000000 -1.645218\n-0.663948 4.022309 -1.645218\n-0.022639 -0.026683 5.817451\nU Ge Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.623177 0.623177 0.246353 Ge\n0.376823 0.376824 0.753647 Ge\n0.250000 0.750001 0.500000 Pt\n0.750000 0.250000 0.500000 Pt\n","nsites":5,"nelements":3,"elements":["U","Ge","Pt"],"chemical_system":"Ge-Pt-U","density":13.514751623038515,"density_atomic":0.05261161360233899,"volume":95.03605112346737,"volume_molar":11.446409542801534,"formula_full":"U1 Ge2 Pt2","formula_reduced":"U(GePt)2","formula_anonymous":"AB2C2","energy_above_hull":2.6464981400000003,"spacegroup":139},{"id":"jvasp-92513","created_at":"2022-09-04T14:36:00.556355Z","updated_at":"2022-09-04T14:36:00.556380Z","structure_string":"Lu1 Si2 Rh2\n1.0\n3.787095 0.000000 -1.422418\n-0.534255 3.749222 -1.422418\n-0.018072 -0.020829 5.704541\nLu Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.620277 0.620275 0.240552 Si\n0.379726 0.379724 0.759447 Si\n0.250001 0.749999 0.500000 Rh\n0.750001 0.250000 0.500000 Rh\n","nsites":5,"nelements":3,"elements":["Lu","Si","Rh"],"chemical_system":"Lu-Rh-Si","density":8.982902848526592,"density_atomic":0.061902310573918956,"volume":80.77242922991358,"volume_molar":9.728458766993562,"formula_full":"Lu1 Si2 Rh2","formula_reduced":"Lu(SiRh)2","formula_anonymous":"AB2C2","energy_above_hull":2.6465937899999994,"spacegroup":139},{"id":"jvasp-109409","created_at":"2022-09-04T14:38:28.239003Z","updated_at":"2022-09-04T14:38:28.239034Z","structure_string":"Ce2 Ru2 Rh2\n1.0\n4.688609 0.031281 -2.749404\n-1.355857 4.275269 -3.070339\n0.001542 -0.031281 5.435281\nCe Ru Rh\n2 2 2\ndirect\n0.375725 0.125725 0.250000 Ce\n0.624274 0.874275 0.750000 Ce\n-0.000000 0.500000 -0.000000 Ru\n-0.000000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Rh\n-0.000000 0.500000 0.500000 Rh\n","nsites":6,"nelements":3,"elements":["Ce","Ru","Rh"],"chemical_system":"Ce-Rh-Ru","density":10.519490212546808,"density_atomic":0.055232271769536496,"volume":108.63214218375344,"volume_molar":10.903300854848283,"formula_full":"Ce2 Ru2 Rh2","formula_reduced":"CeRuRh","formula_anonymous":"ABC","energy_above_hull":2.6469096666666667,"spacegroup":74},{"id":"jvasp-43736","created_at":"2022-09-04T14:38:15.447737Z","updated_at":"2022-09-04T14:38:15.447756Z","structure_string":"V6 O8 F4\n1.0\n0.000000 5.497002 0.006995\n4.629045 0.000000 0.000000\n0.000000 -0.648107 -7.526474\nV O F\n6 8 4\ndirect\n0.227268 0.489714 0.491634 V\n0.566264 0.529173 0.845412 V\n0.907819 0.486779 0.188976 V\n0.772731 0.989714 0.508365 V\n0.433735 0.029174 0.154587 V\n0.092180 0.986778 0.811023 V\n0.780975 0.799158 0.738215 O\n0.283854 0.694634 0.723355 O\n0.619752 0.697288 0.073932 O\n0.947941 0.701339 0.402772 O\n0.052058 0.201339 0.597227 O\n0.380246 0.197288 0.926067 O\n0.716145 0.194634 0.276644 O\n0.219024 0.299158 0.261783 O\n0.117173 0.798450 0.061037 F\n0.882826 0.298451 0.938962 F\n0.549186 0.303460 0.599758 F\n0.450812 0.803460 0.400241 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.419259134959978,"density_atomic":0.09399640260506847,"volume":191.49669031088433,"volume_molar":6.406777911812632,"formula_full":"V6 O8 F4","formula_reduced":"V3(O2F)2","formula_anonymous":"A2B3C4","energy_above_hull":2.6470863516666667,"spacegroup":4},{"id":"jvasp-119251","created_at":"2022-09-04T14:38:28.288160Z","updated_at":"2022-09-04T14:38:28.288194Z","structure_string":"V6 O8 F4\n1.0\n4.633210 0.000933 0.000392\n-0.001766 8.910771 -0.130755\n-0.000367 -0.034402 4.630293\nV O F\n6 8 4\ndirect\n0.499967 0.500002 0.500016 V\n0.012461 0.653572 0.043443 V\n0.512496 0.846416 0.456558 V\n0.000034 -0.000000 -0.000007 V\n0.987500 0.346416 0.956565 V\n0.487534 0.153576 0.543422 V\n0.185788 0.169658 0.806694 O\n0.685742 0.330343 0.693304 O\n0.314210 0.669657 0.306711 O\n0.814254 0.830345 0.193296 O\n0.697818 -0.000554 0.708613 O\n0.302253 0.000557 0.291348 O\n0.802186 0.499445 0.208635 O\n0.197743 0.500558 0.791368 O\n0.707077 0.670905 0.704169 F\n0.792921 0.170903 0.204154 F\n0.292875 0.329101 0.295857 F\n0.207128 0.829098 0.795852 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.42743638243714,"density_atomic":0.09417033036594226,"volume":191.14300576468932,"volume_molar":6.394944922246948,"formula_full":"V6 O8 F4","formula_reduced":"V3(O2F)2","formula_anonymous":"A2B3C4","energy_above_hull":2.6471563516666667,"spacegroup":14}]}