{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=39","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=37","results":[{"id":"jvasp-22922","created_at":"2022-09-04T14:37:30.883792Z","updated_at":"2022-09-04T14:37:30.883809Z","structure_string":"Be6 Cd8 Si6 S2 O24\n1.0\n8.535075 -0.000000 0.000000\n0.000000 8.535075 0.000000\n0.000000 0.000000 8.535075\nBe Cd Si S O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.330039 0.330039 0.669961 Cd\n0.169961 0.169961 0.169961 Cd\n0.669961 0.669961 0.669961 Cd\n0.830039 0.169961 0.830039 Cd\n0.830039 0.830039 0.169961 Cd\n0.669961 0.330039 0.330039 Cd\n0.330039 0.669961 0.330039 Cd\n0.169961 0.830039 0.830039 Cd\n0.000000 0.500000 0.250000 Si\n0.000000 0.500000 0.750000 Si\n0.250000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.500000 0.750000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.356277 0.643434 0.072135 O\n0.356566 0.072135 0.643724 O\n0.072135 0.356277 0.643434 O\n0.072135 0.643724 0.356566 O\n0.643434 0.927866 0.643724 O\n0.927866 0.643724 0.643434 O\n0.643434 0.072135 0.356277 O\n0.356566 0.927866 0.356277 O\n0.927866 0.356277 0.356566 O\n0.143434 0.856277 0.572135 O\n0.856567 0.143723 0.572135 O\n0.856277 0.427865 0.856567 O\n0.572135 0.143434 0.856277 O\n0.143723 0.572135 0.856567 O\n0.143723 0.427865 0.143434 O\n0.356277 0.356566 0.927866 O\n0.143434 0.143723 0.427865 O\n0.856567 0.856277 0.427865 O\n0.572135 0.856567 0.143723 O\n0.427865 0.856567 0.856277 O\n0.856277 0.572135 0.143434 O\n0.643724 0.356566 0.072135 O\n0.427865 0.143434 0.143723 O\n0.643724 0.643434 0.927866 O\n","nsites":46,"nelements":5,"elements":["Be","Cd","Si","S","O"],"chemical_system":"Be-Cd-O-S-Si","density":4.192990450171913,"density_atomic":0.07398365902327651,"volume":621.7589209196536,"volume_molar":8.13982552296492,"formula_full":"Be6 Cd8 Si6 S2 O24","formula_reduced":"Be3Cd4Si3SO12","formula_anonymous":"AB3C3D4E12","energy_above_hull":2.00836065652174,"spacegroup":218},{"id":"jvasp-96803","created_at":"2022-09-04T14:35:56.817154Z","updated_at":"2022-09-04T14:35:56.817186Z","structure_string":"K1 Ca12 Si4 S2 O26 F1\n1.0\n6.965786 -0.007571 12.523336\n3.242685 6.165001 12.523336\n-0.012552 -0.007571 14.330247\nK Ca Si S O F\n1 12 4 2 26 1\ndirect\n0.000000 0.000000 0.000000 K\n0.555474 0.083069 0.555473 Ca\n0.688102 0.225025 0.688102 Ca\n0.555473 0.555473 0.083069 Ca\n0.225024 0.688102 0.688103 Ca\n0.774976 0.311898 0.311898 Ca\n0.916931 0.444527 0.444527 Ca\n0.083069 0.555473 0.555474 Ca\n0.444527 0.444527 0.916931 Ca\n0.311898 0.774975 0.311899 Ca\n0.688102 0.688102 0.225025 Ca\n0.311898 0.311898 0.774976 Ca\n0.444527 0.916931 0.444528 Ca\n0.204047 0.204047 0.204047 Si\n0.917615 0.917615 0.917615 Si\n0.795953 0.795953 0.795953 Si\n0.082385 0.082385 0.082385 Si\n0.676432 0.676432 0.676432 S\n0.323568 0.323568 0.323568 S\n0.431747 0.431747 0.431748 O\n0.244805 0.244805 0.244805 O\n0.681849 0.681849 0.060574 O\n0.640016 0.640016 0.640016 O\n0.123098 0.123098 0.123098 O\n0.181770 0.800685 0.800686 O\n0.800685 0.800685 0.181770 O\n0.800639 0.465132 0.800639 O\n0.755195 0.755195 0.755195 O\n0.359984 0.359984 0.359984 O\n0.318150 0.939427 0.318152 O\n0.199315 0.199315 0.818230 O\n0.568253 0.568253 0.568253 O\n0.465132 0.800639 0.800640 O\n0.199315 0.818230 0.199316 O\n0.681850 0.060573 0.681849 O\n0.199361 0.534868 0.199361 O\n0.939427 0.318151 0.318151 O\n0.818230 0.199315 0.199315 O\n0.199361 0.199361 0.534868 O\n0.534868 0.199361 0.199361 O\n0.060573 0.681849 0.681850 O\n0.318151 0.318151 0.939427 O\n0.800639 0.800639 0.465133 O\n0.876902 0.876902 0.876903 O\n0.800685 0.181770 0.800685 O\n0.500000 0.500000 0.500000 F\n","nsites":46,"nelements":6,"elements":["K","Ca","Si","S","O","F"],"chemical_system":"Ca-F-K-O-S-Si","density":3.0448225391898527,"density_atomic":0.07454531327223954,"volume":617.0743401668723,"volume_molar":8.07849681710658,"formula_full":"K1 Ca12 Si4 S2 O26 F1","formula_reduced":"KCa12Si4S2O26F","formula_anonymous":"ABC2D4E12F26","energy_above_hull":1.9912401896195653,"spacegroup":166},{"id":"jvasp-32677","created_at":"2022-09-04T14:36:37.471142Z","updated_at":"2022-09-04T14:36:37.471171Z","structure_string":"H28 C6 N2 F10\n1.0\n5.970814 -0.053061 1.988746\n-0.065216 6.604996 0.714573\n-0.018484 -0.121249 9.920972\nH C N F\n28 6 2 10\ndirect\n0.499743 0.939591 0.805497 H\n0.428999 0.608261 0.244184 H\n0.766176 0.592052 0.663885 H\n0.776003 0.327217 0.058299 H\n0.406285 0.634268 0.631459 H\n0.251096 0.082568 0.034072 H\n0.927817 0.144247 0.784370 H\n0.630341 0.925654 0.616638 H\n0.369278 0.412406 0.147039 H\n0.807844 0.697990 0.390282 H\n0.500257 0.060410 0.194503 H\n0.233823 0.407948 0.336115 H\n0.223996 0.672784 0.941701 H\n0.180320 0.460324 0.853218 H\n0.748904 0.917432 0.965928 H\n0.819680 0.539676 0.146782 H\n0.096329 0.788344 0.470417 H\n0.593714 0.365733 0.368541 H\n0.072182 0.855754 0.215630 H\n0.369658 0.074347 0.383362 H\n0.661992 0.022340 0.315012 H\n0.630721 0.587595 0.852961 H\n0.074402 0.705958 0.814193 H\n0.903670 0.211657 0.529583 H\n0.338007 0.977661 0.684988 H\n0.192155 0.302011 0.609718 H\n0.925597 0.294042 0.185807 H\n0.571000 0.391739 0.755816 H\n0.612456 0.551830 0.751456 C\n0.477262 0.895710 0.707032 C\n0.790791 0.375820 0.157635 C\n0.387543 0.448170 0.248544 C\n0.209210 0.624180 0.842365 C\n0.522737 0.104291 0.292968 C\n0.575390 0.325945 0.274076 N\n0.424609 0.674056 0.725925 N\n0.646235 0.656444 0.421468 F\n0.353764 0.343557 0.578532 F\n0.967770 0.237864 0.655468 F\n0.912750 0.081836 0.886438 F\n0.872938 0.201681 0.438795 F\n0.644103 0.807145 0.016276 F\n0.355896 0.192855 0.983724 F\n0.127061 0.798320 0.561205 F\n0.087249 0.918164 0.113562 F\n0.032230 0.762137 0.344532 F\n","nsites":46,"nelements":4,"elements":["H","C","N","F"],"chemical_system":"C-F-H-N","density":1.348281063104289,"density_atomic":0.11734765818405789,"volume":391.99759681484016,"volume_molar":5.13187979478412,"formula_full":"H28 C6 N2 F10","formula_reduced":"H14C3NF5","formula_anonymous":"AB3C5D14","energy_above_hull":3.204238898369565,"spacegroup":2},{"id":"jvasp-60219","created_at":"2022-09-04T14:37:55.874961Z","updated_at":"2022-09-04T14:37:55.874981Z","structure_string":"V4 Zn6 Si8 O28\n1.0\n7.100097 -0.000000 3.023274\n2.440784 8.364854 4.116722\n0.336227 0.225688 9.059231\nV Zn Si O\n4 6 8 28\ndirect\n0.193884 0.250000 0.750000 V\n0.806116 0.750000 0.250000 V\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.938824 0.902645 0.441342 Zn\n0.282812 0.597354 0.058657 Zn\n0.717188 0.402646 0.941342 Zn\n0.604180 0.250000 0.749999 Zn\n0.061176 0.097355 0.558657 Zn\n0.395821 0.750000 0.250000 Zn\n0.526078 0.710269 0.653970 Si\n0.232360 0.599029 0.642198 Si\n0.109684 0.210269 0.153970 Si\n0.526412 0.099029 0.142198 Si\n0.473589 0.900971 0.857801 Si\n0.890317 0.789731 0.846029 Si\n0.473923 0.289731 0.346029 Si\n0.767640 0.400971 0.357801 Si\n0.063286 0.175559 0.016632 O\n0.101760 0.064698 0.342418 O\n0.642708 0.266649 0.425905 O\n0.508874 0.435302 0.157581 O\n0.664738 0.766649 0.925905 O\n0.881717 0.917344 0.247181 O\n0.491126 0.564698 0.842418 O\n0.458238 0.089763 0.806594 O\n0.898240 0.935302 0.657581 O\n0.645406 0.589763 0.306594 O\n0.335263 0.233351 0.074094 O\n0.490558 0.875420 0.684521 O\n0.711439 0.164391 0.967631 O\n0.744523 0.675559 0.516631 O\n0.255477 0.324441 0.483368 O\n0.953758 0.417345 0.747181 O\n0.357292 0.733351 0.574094 O\n0.050500 0.624580 0.815479 O\n0.936714 0.824441 0.983367 O\n0.354595 0.410237 0.693405 O\n0.949501 0.375420 0.184521 O\n0.288561 0.835608 0.032368 O\n0.118284 0.082656 0.752818 O\n0.541762 0.910236 0.193405 O\n0.046243 0.582655 0.252818 O\n0.156537 0.664391 0.467632 O\n0.509443 0.124580 0.315479 O\n0.843465 0.335609 0.532367 O\n","nsites":46,"nelements":4,"elements":["V","Zn","Si","O"],"chemical_system":"O-Si-V-Zn","density":4.016424670950106,"density_atomic":0.08768500758166818,"volume":524.6050752422694,"volume_molar":6.867925231563778,"formula_full":"V4 Zn6 Si8 O28","formula_reduced":"V2Zn3(Si2O7)2","formula_anonymous":"A2B3C4D14","energy_above_hull":2.677580130434783,"spacegroup":15},{"id":"jvasp-91383","created_at":"2022-09-04T14:36:31.342669Z","updated_at":"2022-09-04T14:36:31.342698Z","structure_string":"Ti2 Sn12 F32\n1.0\n7.552883 0.000000 0.000000\n-3.776441 9.012771 -0.068152\n0.000000 -0.002712 11.089981\nTi Sn F\n2 12 32\ndirect\n0.338017 0.000000 0.750000 Ti\n0.661983 0.000000 0.250000 Ti\n0.113139 0.417262 0.175528 Sn\n0.894766 0.141095 0.892017 Sn\n0.753672 0.858905 0.607983 Sn\n0.246327 0.141095 0.392017 Sn\n0.521269 0.293971 0.039313 Sn\n0.105234 0.858905 0.107984 Sn\n0.478731 0.706029 0.960687 Sn\n0.772702 0.293971 0.539313 Sn\n0.304122 0.417262 0.675528 Sn\n0.886861 0.582738 0.824472 Sn\n0.695878 0.582738 0.324472 Sn\n0.227298 0.706029 0.460687 Sn\n0.411309 0.857279 0.221064 F\n0.129064 0.257502 0.011192 F\n0.128438 0.257502 0.511192 F\n0.870936 0.742498 0.988808 F\n0.554028 0.142721 0.278937 F\n0.445972 0.857279 0.721063 F\n0.314520 0.944487 0.914568 F\n0.090802 0.855869 0.714838 F\n0.234933 0.144131 0.785162 F\n0.909198 0.144131 0.285162 F\n0.765067 0.855869 0.214838 F\n0.370031 0.055513 0.585432 F\n0.871562 0.742498 0.488808 F\n0.588691 0.142721 0.778936 F\n0.719705 0.445147 0.160732 F\n0.505007 0.319760 0.458162 F\n0.280294 0.554853 0.839268 F\n0.725443 0.445148 0.660732 F\n0.814753 0.319760 0.958162 F\n0.494993 0.680240 0.541838 F\n0.185247 0.680240 0.041838 F\n0.629968 0.944487 0.414568 F\n0.592224 0.472506 0.905461 F\n0.119718 0.527494 0.594538 F\n0.407776 0.527494 0.094539 F\n0.880282 0.472506 0.405462 F\n0.003241 0.300355 0.746067 F\n0.702886 0.699645 0.753933 F\n0.996759 0.699645 0.253933 F\n0.297114 0.300355 0.246067 F\n0.274557 0.554853 0.339268 F\n0.685480 0.055513 0.085432 F\n","nsites":46,"nelements":3,"elements":["Ti","Sn","F"],"chemical_system":"F-Sn-Ti","density":4.681241386338451,"density_atomic":0.060933586207821216,"volume":754.920280633271,"volume_molar":9.883122157722303,"formula_full":"Ti2 Sn12 F32","formula_reduced":"TiSn6F16","formula_anonymous":"AB6C16","energy_above_hull":0.1033796979710144,"spacegroup":15},{"id":"jvasp-60886","created_at":"2022-09-04T14:35:45.223888Z","updated_at":"2022-09-04T14:35:45.223915Z","structure_string":"Mg6 Mn4 Al36\n1.0\n0.000000 7.241395 7.241395\n7.241395 -0.000000 7.241395\n7.241395 7.241395 -0.000000\nMg Mn Al\n6 4 36\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.874999 0.375000 0.874999 Mg\n0.125000 0.625000 0.125000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.209383 0.441679 0.674467 Al\n0.941679 0.709383 0.674467 Al\n0.790616 0.825532 0.325532 Al\n0.674467 0.174468 0.209383 Al\n0.674467 0.709383 0.941679 Al\n0.674467 0.441679 0.209383 Al\n0.941679 0.174468 0.674467 Al\n0.209383 0.174468 0.674467 Al\n0.941679 0.174468 0.209383 Al\n0.209383 0.174468 0.941679 Al\n0.674467 0.441679 0.674467 Al\n0.674467 0.709383 0.674467 Al\n0.674467 0.174468 0.941679 Al\n0.762431 0.262431 0.487568 Al\n0.325532 0.558320 0.790616 Al\n0.487568 0.987568 0.762431 Al\n0.487568 0.262431 0.762431 Al\n0.762431 0.987568 0.487568 Al\n0.487568 0.262431 0.487568 Al\n0.762431 0.987568 0.762431 Al\n0.237568 0.012431 0.512431 Al\n0.512431 0.737568 0.237568 Al\n0.512431 0.012431 0.237568 Al\n0.237568 0.737568 0.512431 Al\n0.512431 0.737568 0.512431 Al\n0.237568 0.012431 0.237568 Al\n0.325532 0.558320 0.325532 Al\n0.325532 0.290616 0.325532 Al\n0.790616 0.825532 0.058320 Al\n0.058320 0.825532 0.790616 Al\n0.790616 0.558320 0.325532 Al\n0.058320 0.290616 0.325532 Al\n0.325532 0.825532 0.790616 Al\n0.325532 0.825532 0.058320 Al\n0.325532 0.290616 0.058320 Al\n0.058320 0.825532 0.325532 Al\n","nsites":46,"nelements":3,"elements":["Mg","Mn","Al"],"chemical_system":"Al-Mg-Mn","density":2.9231898305793593,"density_atomic":0.06057049496385919,"volume":759.4456678527554,"volume_molar":9.942366763872828,"formula_full":"Mg6 Mn4 Al36","formula_reduced":"Mg3(MnAl9)2","formula_anonymous":"A2B3C18","energy_above_hull":2.0055409579460277,"spacegroup":227},{"id":"jvasp-29399","created_at":"2022-09-04T14:38:01.937246Z","updated_at":"2022-09-04T14:38:01.937268Z","structure_string":"Co2 As8 F36\n1.0\n7.209138 -0.087420 0.000000\n-0.314063 7.233941 0.000000\n0.000000 0.000000 12.368722\nCo As F\n2 8 36\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 As\n0.475848 0.560077 0.209510 As\n0.000000 0.500000 0.000000 As\n0.024153 0.939923 0.709510 As\n0.975848 0.060077 0.290490 As\n0.524153 0.439923 0.790490 As\n0.500000 -0.000000 0.500000 As\n0.500000 -0.000000 0.000000 As\n0.362363 0.757935 0.246873 F\n0.425724 0.449804 0.344040 F\n0.728638 0.052771 0.544234 F\n0.568796 0.781680 0.045041 F\n0.762256 0.435789 0.458465 F\n0.228638 0.552771 0.955766 F\n0.694945 0.647123 0.252794 F\n0.934235 0.731931 0.961859 F\n0.637638 0.242065 0.753127 F\n0.074276 0.050196 0.844040 F\n0.068795 0.281680 0.454959 F\n0.065765 0.268069 0.038141 F\n0.565766 0.768069 0.461859 F\n0.137638 0.742064 0.746873 F\n0.045774 0.593918 0.372425 F\n0.435633 0.922466 0.629353 F\n0.237745 0.564211 0.541534 F\n0.064368 0.577534 0.129353 F\n0.862363 0.257935 0.253127 F\n0.737745 0.064211 0.958465 F\n0.574276 0.550196 0.655960 F\n0.194944 0.147123 0.247206 F\n0.262256 0.935789 0.041534 F\n0.434235 0.231931 0.538141 F\n0.305056 0.352877 0.747206 F\n0.431205 0.218320 0.954959 F\n0.954227 0.406082 0.627575 F\n0.271362 0.947228 0.455766 F\n0.771362 0.447228 0.044234 F\n0.564368 0.077534 0.370647 F\n0.931205 0.718320 0.545040 F\n0.545774 0.093918 0.127575 F\n0.454227 0.906082 0.872425 F\n0.925725 0.949804 0.155960 F\n0.935633 0.422466 0.870647 F\n0.805057 0.852877 0.752794 F\n","nsites":46,"nelements":3,"elements":["Co","As","F"],"chemical_system":"As-Co-F","density":3.6090186543780995,"density_atomic":0.07135154850889285,"volume":644.6951882798567,"volume_molar":8.440098198078259,"formula_full":"Co2 As8 F36","formula_reduced":"CoAs4F18","formula_anonymous":"AB4C18","energy_above_hull":0.4570336080434782,"spacegroup":14},{"id":"jvasp-95696","created_at":"2022-09-04T14:35:55.662490Z","updated_at":"2022-09-04T14:35:55.662527Z","structure_string":"Ba10 Er4 Zr2 Al4 O26\n1.0\n5.987120 -0.000000 0.000000\n-2.993560 5.184998 -0.000000\n0.000000 -0.000000 25.064879\nBa Er Zr Al O\n10 4 2 4 26\ndirect\n0.000000 0.000000 0.362146 Ba\n0.666667 0.333333 0.958099 Ba\n0.000000 0.000000 0.637855 Ba\n0.000000 0.000000 0.862146 Ba\n0.666667 0.333333 0.541901 Ba\n0.333333 0.666667 0.458099 Ba\n0.000000 0.000000 0.137855 Ba\n0.333333 0.666667 0.041901 Ba\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.103444 Er\n0.333333 0.666667 0.896556 Er\n0.333333 0.666667 0.603444 Er\n0.666667 0.333333 0.396556 Er\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.666667 0.333333 0.819330 Al\n0.333333 0.666667 0.180670 Al\n0.666667 0.333333 0.680670 Al\n0.333333 0.666667 0.319330 Al\n0.674373 0.837187 0.550230 O\n0.666667 0.333333 0.750000 O\n0.495247 0.504753 0.342195 O\n0.674373 0.837187 0.949770 O\n0.504753 0.009507 0.842195 O\n0.162813 0.837187 0.550230 O\n0.504753 0.495247 0.657805 O\n0.162813 0.325627 0.949770 O\n0.495247 0.504753 0.157805 O\n0.325627 0.162813 0.449770 O\n0.990493 0.495247 0.842195 O\n0.009507 0.504753 0.342195 O\n0.162813 0.837187 0.949770 O\n0.990493 0.495247 0.657805 O\n0.325627 0.162813 0.050230 O\n0.837187 0.162813 0.449770 O\n0.009507 0.504753 0.157805 O\n0.495247 0.990493 0.157805 O\n0.837187 0.162813 0.050230 O\n0.504753 0.495247 0.842195 O\n0.162813 0.325627 0.550230 O\n0.333333 0.666667 0.250000 O\n0.837187 0.674373 0.449770 O\n0.837187 0.674373 0.050230 O\n0.504753 0.009507 0.657805 O\n0.495247 0.990493 0.342195 O\n","nsites":46,"nelements":5,"elements":["Ba","Er","Zr","Al","O"],"chemical_system":"Al-Ba-Er-O-Zr","density":5.8659542439891235,"density_atomic":0.05911880723369233,"volume":778.0941827558421,"volume_molar":10.186505854549665,"formula_full":"Ba10 Er4 Zr2 Al4 O26","formula_reduced":"Ba5Er2ZrAl2O13","formula_anonymous":"AB2C2D5E13","energy_above_hull":2.0965054543478256,"spacegroup":194},{"id":"jvasp-25636","created_at":"2022-09-04T14:38:14.792996Z","updated_at":"2022-09-04T14:38:14.793019Z","structure_string":"Li8 Al6 Ge6 I2 O24\n1.0\n8.774951 -0.000000 0.000000\n0.000000 8.774951 -0.000000\n-0.000000 -0.000000 8.774951\nLi Al Ge I O\n8 6 6 2 24\ndirect\n0.687863 0.312137 0.312137 Li\n0.812137 0.187863 0.812137 Li\n0.312137 0.312137 0.687863 Li\n0.687863 0.687863 0.687863 Li\n0.187863 0.812137 0.812137 Li\n0.187863 0.187863 0.187863 Li\n0.312137 0.687863 0.312137 Li\n0.812137 0.812137 0.187863 Li\n0.750000 0.500000 0.000000 Al\n0.000000 0.250000 0.500000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.750000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.750000 0.000000 0.500000 Ge\n0.250000 0.000000 0.500000 Ge\n0.000000 0.500000 0.750000 Ge\n0.500000 0.250000 0.000000 Ge\n0.500000 0.750000 0.000000 Ge\n0.000000 0.500000 0.250000 Ge\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.500000 I\n0.639564 0.360633 0.095583 O\n0.860436 0.595583 0.139367 O\n0.595583 0.139367 0.860436 O\n0.360633 0.095583 0.639564 O\n0.639367 0.904417 0.639564 O\n0.360436 0.639367 0.095583 O\n0.404417 0.139367 0.139564 O\n0.904417 0.639564 0.639367 O\n0.904417 0.360436 0.360633 O\n0.860633 0.139564 0.595583 O\n0.139367 0.139564 0.404417 O\n0.595583 0.860633 0.139564 O\n0.139564 0.404417 0.139367 O\n0.360633 0.904417 0.360436 O\n0.095583 0.639564 0.360633 O\n0.860436 0.404417 0.860633 O\n0.095583 0.360436 0.639367 O\n0.860633 0.860436 0.404417 O\n0.139367 0.860436 0.595583 O\n0.404417 0.860633 0.860436 O\n0.639367 0.095583 0.360436 O\n0.639564 0.639367 0.904417 O\n0.139564 0.595583 0.860633 O\n0.360436 0.360633 0.904417 O\n","nsites":46,"nelements":5,"elements":["Li","Al","Ge","I","O"],"chemical_system":"Al-Ge-I-Li-O","density":3.1729165895058427,"density_atomic":0.06808065597668876,"volume":675.669165346331,"volume_molar":8.845597436755044,"formula_full":"Li8 Al6 Ge6 I2 O24","formula_reduced":"Li4Al3Ge3IO12","formula_anonymous":"AB3C3D4E12","energy_above_hull":2.046762370652174,"spacegroup":218},{"id":"jvasp-97399","created_at":"2022-09-04T14:36:13.477099Z","updated_at":"2022-09-04T14:36:13.477130Z","structure_string":"Na2 Mo6 P6 O32\n1.0\n6.321393 0.050337 1.225051\n0.673977 7.384349 1.375802\n-0.012348 0.075095 12.881569\nNa Mo P O\n2 6 6 32\ndirect\n0.408679 0.692647 0.675112 Na\n0.591321 0.307353 0.324888 Na\n0.208029 0.214941 0.538236 Mo\n0.791970 0.785059 0.461764 Mo\n0.409678 0.746454 0.162015 Mo\n0.590321 0.253546 0.837985 Mo\n0.064965 0.206240 0.143777 Mo\n0.935035 0.793760 0.856223 Mo\n0.941929 0.515580 0.683935 P\n0.058071 0.484420 0.316065 P\n0.691646 0.148355 0.580320 P\n0.308353 0.851645 0.419680 P\n0.422677 0.837377 0.897876 P\n0.577322 0.162623 0.102124 P\n0.248771 0.806043 0.836369 O\n0.141599 0.977566 0.138516 O\n0.858400 0.022434 0.861484 O\n0.363439 0.235640 0.166134 O\n0.636560 0.764360 0.833866 O\n0.600068 0.576366 0.183154 O\n0.627090 0.173296 0.697532 O\n0.380710 0.728539 0.011903 O\n0.619290 0.271461 0.988097 O\n0.155002 0.610530 0.214122 O\n0.844997 0.389470 0.785877 O\n0.372910 0.826704 0.302468 O\n0.751228 0.193957 0.163630 O\n0.399931 0.423634 0.816845 O\n0.022046 0.673317 0.724651 O\n0.144684 0.417044 0.625162 O\n0.902693 0.683602 0.983156 O\n0.097306 0.316398 0.016843 O\n0.778255 0.586891 0.609778 O\n0.221744 0.413109 0.390222 O\n0.855316 0.582956 0.374838 O\n0.582168 0.958596 0.100194 O\n0.707047 0.942906 0.580466 O\n0.292952 0.057094 0.419534 O\n0.477377 0.745996 0.485653 O\n0.522623 0.254003 0.514346 O\n0.098380 0.772335 0.473327 O\n0.901620 0.227664 0.526673 O\n0.783695 0.969201 0.365408 O\n0.216305 0.030799 0.634591 O\n0.977953 0.326683 0.275349 O\n0.417831 0.041403 0.899806 O\n","nsites":46,"nelements":4,"elements":["Na","Mo","P","O"],"chemical_system":"Mo-Na-O-P","density":3.649294734778311,"density_atomic":0.07661734011880372,"volume":600.386282382968,"volume_molar":7.8600232671376995,"formula_full":"Na2 Mo6 P6 O32","formula_reduced":"NaMo3P3O16","formula_anonymous":"AB3C3D16","energy_above_hull":3.488523443478261,"spacegroup":2},{"id":"jvasp-101805","created_at":"2022-09-04T14:37:14.116433Z","updated_at":"2022-09-04T14:37:14.116456Z","structure_string":"H20 C24 S2\n1.0\n6.216900 -0.019482 0.355487\n2.055296 7.752038 2.611220\n0.051639 0.103696 9.016453\nH C S\n20 24 2\ndirect\n0.681659 0.242313 0.849398 H\n0.174501 0.012784 0.629573 H\n0.674501 0.512784 0.629572 H\n0.511704 0.772938 0.730964 H\n0.011704 0.272938 0.730964 H\n0.005289 0.542437 0.510513 H\n0.849356 0.314130 0.470771 H\n0.349354 0.814130 0.470770 H\n0.747372 0.502664 0.917346 H\n0.247372 0.002663 0.917346 H\n0.505289 0.042437 0.510512 H\n0.000892 0.744464 0.139986 H\n0.245156 0.316231 0.367860 H\n0.745155 0.816231 0.367860 H\n0.665523 0.261535 0.365716 H\n0.165523 0.761534 0.365715 H\n0.016240 0.498670 0.973686 H\n0.516241 0.998671 0.973686 H\n0.181659 0.742313 0.849398 H\n0.500893 0.244463 0.139986 H\n0.154047 0.476807 0.585036 C\n0.654048 0.976808 0.585035 C\n0.346652 0.239454 0.805635 C\n0.846653 0.739454 0.805635 C\n0.338997 0.546660 0.554756 C\n0.528621 0.460217 0.651579 C\n0.532466 0.308768 0.775104 C\n0.032467 0.808768 0.775105 C\n0.028622 0.960217 0.651580 C\n0.657675 0.825461 0.708891 C\n0.838998 0.046660 0.554756 C\n0.157674 0.325461 0.708892 C\n0.704047 0.751122 0.291019 C\n0.331200 0.713936 0.422204 C\n0.845703 0.580827 0.945451 C\n0.345703 0.080827 0.945451 C\n0.009127 0.200381 0.303287 C\n0.509126 0.700381 0.303286 C\n0.252032 0.132387 0.086250 C\n0.752032 0.632388 0.086250 C\n0.204048 0.251121 0.291019 C\n0.341348 0.212692 0.168422 C\n0.841347 0.712692 0.168421 C\n0.831200 0.213937 0.422205 C\n0.494865 0.606276 0.159782 S\n0.994866 0.106276 0.159782 S\n","nsites":46,"nelements":3,"elements":["H","C","S"],"chemical_system":"C-H-S","density":1.4282229368304018,"density_atomic":0.10620019133238362,"volume":433.1442290535048,"volume_molar":5.670555471178017,"formula_full":"H20 C24 S2","formula_reduced":"H10C12S","formula_anonymous":"AB10C12","energy_above_hull":5.536464782608695,"spacegroup":1},{"id":"jvasp-97442","created_at":"2022-09-04T14:35:57.457844Z","updated_at":"2022-09-04T14:35:57.457867Z","structure_string":"K4 Nd2 P10 O30\n1.0\n7.139993 0.062743 -0.048993\n-2.229532 6.783261 -0.048993\n0.001858 0.002590 13.275479\nK Nd P O\n4 2 10 30\ndirect\n0.446302 0.196282 0.944767 K\n0.297986 0.687701 0.747480 K\n0.196282 0.446302 0.444767 K\n0.687701 0.297986 0.247480 K\n0.903354 0.097216 0.748170 Nd\n0.097217 0.903354 0.248170 Nd\n0.995130 0.385684 0.993686 P\n0.040289 0.814605 0.968223 P\n0.558598 0.806852 0.156787 P\n0.806852 0.558598 0.656787 P\n0.237455 0.435501 0.175752 P\n0.814604 0.040288 0.468223 P\n0.435502 0.237454 0.675752 P\n0.610705 0.756608 0.938965 P\n0.385684 0.995130 0.493686 P\n0.756608 0.610704 0.438965 P\n0.476576 0.562259 0.907548 O\n0.560218 0.117334 0.713574 O\n0.914874 0.440918 0.712576 O\n0.131968 0.923975 0.062131 O\n0.092436 0.612161 0.960442 O\n0.361859 0.177058 0.562355 O\n0.729501 0.808321 0.483233 O\n0.530377 0.843289 0.038556 O\n0.612161 0.092436 0.460442 O\n0.923975 0.131967 0.562131 O\n0.921493 0.650835 0.364512 O\n0.843289 0.530377 0.538556 O\n-0.004708 0.265875 0.901322 O\n0.562260 0.476575 0.407548 O\n0.349640 0.811887 0.553267 O\n0.465616 0.569354 0.165311 O\n0.440918 0.914874 0.212576 O\n0.650836 0.921493 0.864512 O\n0.245675 0.258418 0.233480 O\n0.852066 0.770877 0.684292 O\n0.811887 0.349639 0.053267 O\n0.117334 0.560218 0.213574 O\n0.808321 0.729500 0.983233 O\n0.177058 0.361859 0.062355 O\n0.569354 0.465616 0.665311 O\n0.092394 0.913782 0.868378 O\n0.913781 0.092393 0.368378 O\n0.770878 0.852066 0.184292 O\n0.265875 -0.004708 0.401322 O\n0.258419 0.245675 0.733480 O\n","nsites":46,"nelements":4,"elements":["K","Nd","P","O"],"chemical_system":"K-Nd-O-P","density":3.1793179282901796,"density_atomic":0.07133744311866068,"volume":644.8226623918229,"volume_molar":8.441767039481556,"formula_full":"K4 Nd2 P10 O30","formula_reduced":"K2Nd(PO3)5","formula_anonymous":"AB2C5D15","energy_above_hull":2.7036194565217397,"spacegroup":9}]}