{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4571","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=4569","results":[{"id":"jvasp-98534","created_at":"2022-09-04T14:35:52.040113Z","updated_at":"2022-09-04T14:35:52.040136Z","structure_string":"Na6 Th2 P6 O22\n1.0\n6.514513 0.296474 -0.374004\n-2.585618 7.751836 -2.950136\n-0.001155 0.037701 8.874105\nNa Th P O\n6 2 6 22\ndirect\n0.406508 0.181805 0.564441 Na\n0.360811 0.992663 0.131169 Na\n0.639187 0.007337 0.868832 Na\n0.593490 0.818195 0.435559 Na\n0.305614 0.586751 0.040944 Na\n0.694384 0.413249 0.959056 Na\n0.926080 0.665459 0.711969 Th\n0.073918 0.334541 0.288032 Th\n0.147844 0.137641 0.869089 P\n0.100033 0.780947 0.363830 P\n0.852154 0.862359 0.130911 P\n0.595236 0.384508 0.293033 P\n0.899965 0.219053 0.636170 P\n0.404763 0.615492 0.706967 P\n0.908707 0.717633 0.997260 O\n0.501241 0.507140 0.239101 O\n0.889155 0.821729 0.296219 O\n0.498758 0.492860 0.760899 O\n0.709265 0.279196 0.162235 O\n0.699774 0.095262 0.646561 O\n0.110843 0.178271 0.703781 O\n0.911592 0.402319 0.746060 O\n0.406851 0.262509 0.332016 O\n0.934944 0.200442 0.463393 O\n0.988011 0.966253 0.839666 O\n0.620914 0.859477 0.109086 O\n0.011987 0.033747 0.160335 O\n0.300224 0.904738 0.353439 O\n0.379085 0.140523 0.890914 O\n0.091291 0.282367 0.002740 O\n0.088406 0.597681 0.253940 O\n0.290733 0.720804 0.837765 O\n0.593147 0.737491 0.667985 O\n0.226551 0.526181 0.556358 O\n0.065055 0.799558 0.536607 O\n0.773448 0.473819 0.443643 O\n","nsites":36,"nelements":4,"elements":["Na","Th","P","O"],"chemical_system":"Na-O-P-Th","density":4.153525365718345,"density_atomic":0.07899958535883322,"volume":455.6985943214791,"volume_molar":7.623002997605788,"formula_full":"Na6 Th2 P6 O22","formula_reduced":"Na3ThP3O11","formula_anonymous":"AB3C3D11","energy_above_hull":2.412499866666667,"spacegroup":2},{"id":"jvasp-98535","created_at":"2022-09-04T14:35:53.432469Z","updated_at":"2022-09-04T14:35:53.432495Z","structure_string":"Ti6 Bi8 O24\n1.0\n5.345229 -0.000000 -0.881230\n0.000081 5.459604 0.000492\n0.030972 0.012257 16.839621\nTi Bi O\n6 8 24\ndirect\n0.005336 0.481418 0.003287 Ti\n0.132146 0.471478 0.257647 Ti\n0.369667 0.976898 0.741262 Ti\n0.871594 0.476899 0.741262 Ti\n0.625500 0.971478 0.257647 Ti\n0.497951 0.981418 0.003287 Ti\n0.929403 0.019143 0.866390 Bi\n0.569601 0.515255 0.132598 Bi\n0.285835 0.520299 0.575033 Bi\n0.062996 0.015255 0.132598 Bi\n0.201850 0.026720 0.419464 Bi\n0.789198 0.020299 0.575033 Bi\n0.717614 0.526719 0.419464 Bi\n0.436987 0.519143 0.866390 Bi\n0.198731 0.159502 0.987609 O\n0.500209 0.760716 0.498491 O\n0.827146 0.235537 0.222609 O\n0.000773 0.757181 0.499190 O\n0.288878 0.659502 0.987609 O\n0.127062 0.468132 0.363422 O\n0.160394 0.234664 0.777816 O\n0.498281 0.260717 0.498491 O\n0.431395 0.652333 0.252420 O\n0.586780 0.674794 0.754076 O\n0.861053 0.478033 0.636202 O\n0.998417 0.257181 0.499190 O\n0.736360 0.968132 0.363422 O\n0.511201 0.938648 0.887308 O\n0.895464 0.735537 0.222609 O\n0.136702 0.433909 0.120547 O\n0.876107 0.438649 0.887308 O\n0.667296 0.174794 0.754076 O\n0.483844 0.933908 0.120547 O\n0.321025 0.152333 0.252420 O\n0.275149 0.978032 0.636202 O\n0.724869 0.237637 0.023427 O\n0.117421 0.734664 0.777816 O\n0.798557 0.737636 0.023427 O\n","nsites":38,"nelements":3,"elements":["Ti","Bi","O"],"chemical_system":"Bi-O-Ti","density":7.914722358251819,"density_atomic":0.07730225915506353,"volume":491.57683637388084,"volume_molar":7.790381323681575,"formula_full":"Ti6 Bi8 O24","formula_reduced":"Ti3(BiO3)4","formula_anonymous":"A3B4C12","energy_above_hull":2.799017589473684,"spacegroup":9},{"id":"jvasp-98536","created_at":"2022-09-04T14:35:54.606486Z","updated_at":"2022-09-04T14:35:54.606512Z","structure_string":"K4 C4 N12 O8\n1.0\n6.456859 0.000000 -2.210324\n0.000000 7.180517 0.000000\n0.058752 0.000000 8.525241\nK C N O\n4 4 12 8\ndirect\n0.850719 0.888706 0.639061 K\n0.850719 0.611295 0.139061 K\n0.149281 0.111294 0.360939 K\n0.149281 0.388706 0.860939 K\n0.439136 0.447700 0.290531 C\n0.560864 0.947700 0.209469 C\n0.439136 0.052301 0.790531 C\n0.560864 0.552301 0.709469 C\n0.357891 0.553354 0.643321 N\n0.291835 0.807207 0.032871 N\n0.642109 0.446646 0.356679 N\n0.291835 0.692794 0.532871 N\n0.260468 0.460552 0.223648 N\n0.357891 0.946646 0.143321 N\n0.642109 0.053354 0.856679 N\n0.739532 0.539449 0.776352 N\n0.260467 0.039449 0.723648 N\n0.708164 0.192793 0.967129 N\n0.708165 0.307207 0.467129 N\n0.739532 0.960552 0.276352 N\n0.581548 0.298502 0.004832 O\n0.581548 0.201499 0.504832 O\n0.418452 0.701499 -0.004832 O\n0.099546 0.712972 0.469588 O\n0.099546 0.787028 0.969588 O\n0.418452 0.798502 0.495168 O\n0.900454 0.212972 0.030413 O\n0.900454 0.287028 0.530413 O\n","nsites":28,"nelements":4,"elements":["K","C","N","O"],"chemical_system":"C-K-N-O","density":2.097762003359365,"density_atomic":0.07067258899656091,"volume":396.19321150612643,"volume_molar":8.521183170879803,"formula_full":"K4 C4 N12 O8","formula_reduced":"KCN3O2","formula_anonymous":"ABC2D3","energy_above_hull":4.089527821428571,"spacegroup":14},{"id":"jvasp-98537","created_at":"2022-09-04T14:35:57.039468Z","updated_at":"2022-09-04T14:35:57.039486Z","structure_string":"V4 Bi4 O16\n1.0\n5.061869 0.000000 0.000000\n0.000000 5.306819 0.000000\n0.000000 0.000000 12.003934\nV Bi O\n4 4 16\ndirect\n0.000000 0.750000 0.606154 V\n0.500000 0.250000 0.893846 V\n0.000000 0.250000 0.393846 V\n0.500000 0.750000 0.106154 V\n0.000000 0.750000 0.881367 Bi\n0.500000 0.250000 0.618632 Bi\n0.000000 0.250000 0.118633 Bi\n0.500000 0.750000 0.381367 Bi\n0.851322 0.041271 0.305679 O\n0.351321 0.958729 0.194321 O\n0.351321 0.458729 0.805679 O\n0.851322 0.541271 0.694321 O\n0.148679 0.958729 0.694321 O\n0.648679 0.041271 0.805679 O\n0.245620 0.582862 0.034241 O\n0.754380 0.417138 0.965759 O\n0.254380 0.082862 0.465759 O\n0.754380 0.917138 0.034241 O\n0.148679 0.458729 0.305679 O\n0.254380 0.582862 0.534241 O\n0.745620 0.917138 0.534241 O\n0.245620 0.082862 0.965759 O\n0.745620 0.417138 0.465759 O\n0.648679 0.541271 0.194321 O\n","nsites":24,"nelements":3,"elements":["V","Bi","O"],"chemical_system":"Bi-O-V","density":6.672328292574847,"density_atomic":0.07442904830743835,"volume":322.4547477869802,"volume_molar":8.091116166264557,"formula_full":"V4 Bi4 O16","formula_reduced":"VBiO4","formula_anonymous":"ABC4","energy_above_hull":2.400490416666667,"spacegroup":60},{"id":"jvasp-98540","created_at":"2022-09-04T14:35:58.859247Z","updated_at":"2022-09-04T14:35:58.859268Z","structure_string":"Os8 O16 F24\n1.0\n5.291290 0.000000 -0.899803\n0.000000 9.907858 0.000000\n0.028406 0.000000 12.188423\nOs O F\n8 16 24\ndirect\n0.029115 0.254985 0.496195 Os\n0.352527 0.990734 0.223994 Os\n0.970886 0.745015 0.503805 Os\n0.647473 0.009266 0.776006 Os\n0.352528 0.509266 0.723994 Os\n0.647473 0.490734 0.276006 Os\n0.970886 0.754985 0.003805 Os\n0.029115 0.245015 0.996195 Os\n0.721084 0.834793 0.041130 O\n0.493042 0.663043 0.753130 O\n0.403315 0.073627 0.348942 O\n0.596686 0.926373 0.651058 O\n0.506959 0.336957 0.246870 O\n0.721084 0.665207 0.541130 O\n0.444397 0.931008 0.850784 O\n0.555604 0.068992 0.149216 O\n0.555604 0.431008 0.649216 O\n0.506959 0.163043 0.746870 O\n0.403315 0.426373 0.848942 O\n0.596685 0.573627 0.151058 O\n0.278916 0.334793 0.458870 O\n0.444397 0.568992 0.350784 O\n0.493041 0.836957 0.253130 O\n0.278917 0.165207 0.958870 O\n0.803422 0.415837 0.444797 F\n0.188850 0.406894 0.052764 F\n0.890289 0.661166 0.348573 F\n0.264461 0.699571 0.949365 F\n0.196579 0.584163 0.555203 F\n0.109712 0.338834 0.651427 F\n0.188850 0.093106 0.552763 F\n0.735540 0.300429 0.050635 F\n0.094145 0.835178 0.639320 F\n0.803422 0.084163 0.944797 F\n0.264460 0.800429 0.449365 F\n0.735540 0.199571 0.550635 F\n0.109712 0.161166 0.151427 F\n0.094144 0.664822 0.139320 F\n0.811150 0.906894 0.447237 F\n0.983829 0.434301 0.266879 F\n0.983830 0.065700 0.766879 F\n0.905856 0.335178 0.860680 F\n0.811151 0.593106 0.947237 F\n0.016171 0.565700 0.733121 F\n0.905856 0.164822 0.360680 F\n0.196579 0.915837 0.055203 F\n0.016171 0.934301 0.233121 F\n0.890289 0.838834 0.848573 F\n","nsites":48,"nelements":3,"elements":["Os","O","F"],"chemical_system":"F-O-Os","density":5.802710459835608,"density_atomic":0.07508968710990929,"volume":639.2355841054721,"volume_molar":8.019930554758274,"formula_full":"Os8 O16 F24","formula_reduced":"OsO2F3","formula_anonymous":"AB2C3","energy_above_hull":1.6675604745833337,"spacegroup":14},{"id":"jvasp-98541","created_at":"2022-09-04T14:36:01.283460Z","updated_at":"2022-09-04T14:36:01.283479Z","structure_string":"Ag4 C4 N12 O8\n1.0\n5.568441 -0.000000 0.000000\n-0.000000 5.682442 0.000000\n0.000000 0.000000 12.166282\nAg C N O\n4 4 12 8\ndirect\n0.515281 0.250000 0.727421 Ag\n0.515281 0.750000 0.772579 Ag\n0.484719 0.750000 0.272579 Ag\n0.484719 0.250000 0.227421 Ag\n0.678276 0.750000 0.019647 C\n0.321724 0.750000 0.519647 C\n0.321724 0.250000 0.980353 C\n0.678276 0.250000 0.480353 C\n0.258915 0.250000 0.084389 N\n0.602226 0.750000 0.109073 N\n0.397774 0.750000 0.609073 N\n0.987307 0.750000 0.898604 N\n0.741085 0.250000 0.584389 N\n0.258915 0.750000 0.415611 N\n0.012692 0.250000 0.101396 N\n0.987307 0.250000 0.601396 N\n0.012692 0.750000 0.398604 N\n0.741085 0.750000 0.915611 N\n0.397774 0.250000 0.890927 N\n0.602226 0.250000 0.390927 N\n0.873575 0.250000 0.020931 O\n0.126425 0.750000 0.979069 O\n0.051630 0.750000 0.800281 O\n-0.051630 0.750000 0.300281 O\n-0.051630 0.250000 0.199719 O\n0.873575 0.750000 0.479069 O\n0.126425 0.250000 0.520931 O\n0.051630 0.250000 0.699719 O\n","nsites":28,"nelements":4,"elements":["Ag","C","N","O"],"chemical_system":"Ag-C-N-O","density":3.3454570413631934,"density_atomic":0.07273300290982787,"volume":384.96966823593874,"volume_molar":8.279791180169013,"formula_full":"Ag4 C4 N12 O8","formula_reduced":"AgCN3O2","formula_anonymous":"ABC2D3","energy_above_hull":4.269394858571428,"spacegroup":57},{"id":"jvasp-98542","created_at":"2022-09-04T14:36:04.378933Z","updated_at":"2022-09-04T14:36:04.378948Z","structure_string":"Li8 B16 O28\n1.0\n7.836370 -0.015906 -3.129801\n-4.235905 6.965283 -2.178658\n-0.009673 0.015906 8.438262\nLi B O\n8 16 28\ndirect\n0.686508 0.681563 0.696745 Li\n0.515183 0.446745 0.260237 Li\n0.313493 0.010238 0.995055 Li\n0.484818 0.745055 -0.068437 Li\n-0.015182 0.181563 0.495055 Li\n0.015183 0.510237 0.196745 Li\n0.186508 -0.053255 0.431563 Li\n0.813493 0.245055 0.760238 Li\n0.757591 0.616707 0.038331 B\n0.742409 0.109117 0.030740 B\n0.078378 0.609118 0.866708 B\n-0.078377 0.788331 0.530740 B\n0.668132 0.885133 0.441406 B\n0.421623 0.780740 0.538331 B\n0.443728 0.385134 0.717003 B\n0.168132 0.691406 0.635134 B\n0.056273 0.191406 0.023275 B\n0.257591 0.288331 0.366708 B\n-0.056272 -0.032997 0.135134 B\n0.242410 0.280741 0.859118 B\n0.556273 0.273275 0.941406 B\n0.831869 0.467002 0.523275 B\n0.578377 0.116708 0.359118 B\n0.331869 0.773275 0.217003 B\n0.575728 0.120908 -0.019317 O\n-0.000000 -0.003336 -0.003336 O\n0.359776 0.730683 0.654955 O\n0.500000 0.246664 0.746664 O\n0.787156 0.624004 0.520261 O\n0.896256 0.233104 0.020260 O\n0.075729 0.230684 0.870908 O\n0.603744 0.586848 0.874004 O\n0.424272 0.404955 0.545180 O\n0.255730 0.339825 0.724611 O\n0.744270 0.468881 0.084095 O\n0.115214 0.834095 0.589825 O\n0.140225 0.620908 0.045180 O\n0.755729 -0.025389 0.089825 O\n0.244271 0.334095 0.218881 O\n0.712844 0.086848 0.483105 O\n0.384787 0.968881 0.224611 O\n-0.140224 0.904955 0.480684 O\n0.924272 0.795179 0.154955 O\n0.500000 0.746663 0.246664 O\n0.615214 0.839825 0.584095 O\n0.640225 0.295179 0.370908 O\n0.884787 0.474611 0.718881 O\n0.103744 0.124004 0.336848 O\n0.000001 0.496664 0.496664 O\n0.396257 0.270261 0.983105 O\n0.212845 0.733105 0.836848 O\n0.287156 0.770260 0.374004 O\n","nsites":52,"nelements":3,"elements":["Li","B","O"],"chemical_system":"B-Li-O","density":2.440520210017942,"density_atomic":0.1129736267510243,"volume":460.28441765970416,"volume_molar":5.330572216887247,"formula_full":"Li8 B16 O28","formula_reduced":"Li2B4O7","formula_anonymous":"A2B4C7","energy_above_hull":3.218084987179487,"spacegroup":110},{"id":"jvasp-98546","created_at":"2022-09-04T14:36:05.760563Z","updated_at":"2022-09-04T14:36:05.760596Z","structure_string":"Na4 Al4 As8 O28\n1.0\n6.643362 0.000000 -2.069801\n0.000000 8.183179 0.000000\n0.040960 0.000000 9.629656\nNa Al As O\n4 4 8 28\ndirect\n0.194393 0.859643 0.527120 Na\n0.194393 0.640357 0.027120 Na\n0.805607 0.140357 0.472881 Na\n0.805607 0.359643 0.972881 Na\n0.721599 0.727156 0.505766 Al\n0.278401 0.272845 0.494235 Al\n0.278401 0.227155 0.994235 Al\n0.721599 0.772845 0.005765 Al\n0.487074 0.911341 0.208446 As\n0.054443 0.464812 0.703404 As\n0.512926 0.088659 0.791554 As\n0.512926 0.411341 0.291554 As\n0.054443 0.035188 0.203404 As\n0.945556 0.535188 0.296596 As\n0.945556 0.964812 0.796596 As\n0.487074 0.588659 0.708447 As\n0.930623 0.816141 0.916987 O\n0.094528 0.394919 0.876908 O\n0.230954 0.870416 0.215551 O\n0.828839 0.560613 0.647561 O\n0.372569 0.089321 0.614599 O\n0.171161 0.060613 0.852440 O\n0.828839 0.939388 0.147561 O\n0.905471 0.894919 0.623093 O\n0.465537 0.401181 0.633570 O\n0.627430 0.589321 0.885402 O\n0.171161 0.439387 0.352439 O\n0.534463 0.901181 0.866430 O\n0.069376 0.183859 0.083013 O\n0.520317 0.748132 0.602610 O\n0.769046 0.370415 0.284449 O\n0.520317 0.751868 0.102610 O\n0.905471 0.605081 0.123092 O\n0.627430 0.910679 0.385402 O\n0.930623 0.683859 0.416987 O\n0.769046 0.129585 0.784449 O\n0.479683 0.251868 0.397390 O\n0.479683 0.248132 0.897391 O\n0.372569 0.410679 0.114598 O\n0.230954 0.629585 0.715552 O\n0.094528 0.105081 0.376908 O\n0.465537 0.098819 0.133570 O\n0.069376 0.316141 0.583013 O\n0.534463 0.598819 0.366430 O\n","nsites":44,"nelements":4,"elements":["Na","Al","As","O"],"chemical_system":"Al-As-Na-O","density":3.950969321388443,"density_atomic":0.08393764439033359,"volume":524.1986515059639,"volume_molar":7.174541058116138,"formula_full":"Na4 Al4 As8 O28","formula_reduced":"NaAlAs2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.3016027090909086,"spacegroup":14},{"id":"jvasp-98547","created_at":"2022-09-04T14:36:07.990406Z","updated_at":"2022-09-04T14:36:07.990419Z","structure_string":"Tl8 Cr12 O48\n1.0\n8.803193 -0.000000 0.000000\n-0.000000 8.710918 0.000000\n0.000000 0.000000 13.010389\nTl Cr O\n8 12 48\ndirect\n0.603284 0.247912 0.906931 Tl\n0.603284 0.747912 0.593069 Tl\n0.103284 0.752088 0.906931 Tl\n0.896716 0.747912 0.406931 Tl\n0.103284 0.252088 0.593069 Tl\n0.396716 0.252088 0.406931 Tl\n0.896716 0.247912 0.093069 Tl\n0.396716 0.752088 0.093069 Tl\n0.750000 0.113793 0.500000 Cr\n0.250000 0.386207 0.000000 Cr\n0.750000 0.613793 0.000000 Cr\n0.974812 0.119819 0.832631 Cr\n0.474812 0.380181 0.667369 Cr\n0.250000 0.886207 0.500000 Cr\n0.025187 0.380181 0.332631 Cr\n0.025187 0.880181 0.167369 Cr\n0.525187 0.619819 0.332631 Cr\n0.474812 0.880181 0.832631 Cr\n0.974812 0.619819 0.667369 Cr\n0.525187 0.119819 0.167369 Cr\n0.628885 0.516745 0.260153 O\n0.416084 0.737463 0.262558 O\n0.916084 0.762537 0.237442 O\n0.083916 0.737463 0.737442 O\n0.583916 0.762537 0.762558 O\n0.583916 0.262537 0.737442 O\n0.416084 0.237463 0.237442 O\n0.916084 0.262537 0.262558 O\n0.354193 0.772616 0.575622 O\n0.854193 0.727384 0.924378 O\n0.145807 0.772616 0.424378 O\n0.128885 0.983256 0.239847 O\n0.083916 0.237463 0.762558 O\n0.854193 0.227384 0.575622 O\n0.638004 0.505919 0.928154 O\n0.371114 0.483256 0.739847 O\n0.138004 -0.005919 0.571846 O\n0.861996 0.505919 0.071846 O\n0.361996 -0.005919 0.428154 O\n0.361996 0.494081 0.071846 O\n0.861996 0.005919 0.428154 O\n0.138004 0.494081 0.928154 O\n0.638004 0.005919 0.571846 O\n0.411060 0.010258 0.096572 O\n0.911060 0.489742 0.403428 O\n0.088939 0.010258 0.903428 O\n0.588939 0.489742 0.596572 O\n0.588939 0.989743 0.903428 O\n0.088939 0.510258 0.596572 O\n0.911060 0.989743 0.096572 O\n0.371114 0.983256 0.760153 O\n0.411060 0.510258 0.403428 O\n0.354193 0.272616 0.924378 O\n0.145807 0.272616 0.075622 O\n0.645807 0.227384 0.424378 O\n0.639476 0.727182 0.415637 O\n0.139476 0.772818 0.084363 O\n0.860524 0.727182 0.584363 O\n0.360524 0.772818 0.915637 O\n0.360524 0.272818 0.584363 O\n0.860524 0.227182 0.915637 O\n0.139476 0.272818 0.415637 O\n0.639476 0.227182 0.084363 O\n0.628885 0.016744 0.239847 O\n0.128885 0.483256 0.260153 O\n0.871114 0.016744 0.760153 O\n0.645807 0.727384 0.075622 O\n0.871114 0.516745 0.739847 O\n","nsites":68,"nelements":3,"elements":["Tl","Cr","O"],"chemical_system":"Cr-O-Tl","density":5.038088217149439,"density_atomic":0.06815763021978875,"volume":997.6872696530023,"volume_molar":8.835607606338908,"formula_full":"Tl8 Cr12 O48","formula_reduced":"Tl2Cr3O12","formula_anonymous":"A2B3C12","energy_above_hull":3.007415847058823,"spacegroup":60},{"id":"jvasp-98550","created_at":"2022-09-04T14:35:40.918655Z","updated_at":"2022-09-04T14:35:40.918677Z","structure_string":"Ba4 Ce1 Mn3 O12\n1.0\n5.587071 -0.006444 8.473582\n2.537319 4.977691 8.473582\n-0.010531 -0.006444 10.149721\nBa Ce Mn O\n4 1 3 12\ndirect\n0.282644 0.282644 0.282643 Ba\n0.131081 0.131081 0.131081 Ba\n0.717356 0.717357 0.717356 Ba\n0.868919 0.868920 0.868918 Ba\n0.000000 0.000000 0.000000 Ce\n0.414047 0.414047 0.414046 Mn\n0.585953 0.585954 0.585953 Mn\n0.500000 0.500001 0.499999 Mn\n0.776834 0.311231 0.776834 O\n0.605808 0.605809 0.163399 O\n0.163399 0.605809 0.605808 O\n0.394191 0.394192 0.836600 O\n0.836601 0.394192 0.394191 O\n0.223165 0.223166 0.688769 O\n0.394191 0.836601 0.394191 O\n0.311230 0.776835 0.776834 O\n0.605808 0.163400 0.605808 O\n0.776835 0.776835 0.311230 O\n0.688770 0.223166 0.223165 O\n0.223165 0.688770 0.223165 O\n","nsites":20,"nelements":4,"elements":["Ba","Ce","Mn","O"],"chemical_system":"Ba-Ce-Mn-O","density":6.137849383357279,"density_atomic":0.07065933863450587,"volume":283.04821961966644,"volume_molar":8.522781102085125,"formula_full":"Ba4 Ce1 Mn3 O12","formula_reduced":"Ba4CeMn3O12","formula_anonymous":"AB3C4D12","energy_above_hull":2.569905655206896,"spacegroup":166},{"id":"jvasp-98551","created_at":"2022-09-04T14:35:47.163161Z","updated_at":"2022-09-04T14:35:47.163192Z","structure_string":"Tm6 Fe6 O18\n1.0\n6.055850 -0.000000 0.000000\n-3.027925 5.244521 -0.000000\n-0.000000 -0.000000 11.343713\nTm Fe O\n6 6 18\ndirect\n0.666667 0.333333 0.730849 Tm\n0.666667 0.333333 0.230849 Tm\n0.000000 0.000000 0.278484 Tm\n0.333332 0.666667 0.230849 Tm\n0.000000 0.000000 0.778484 Tm\n0.333332 0.666667 0.730849 Tm\n0.333724 0.333724 0.501130 Fe\n0.666275 0.666276 0.001130 Fe\n0.666276 0.000000 0.501130 Fe\n-0.000000 0.333724 0.001130 Fe\n0.333724 0.000000 0.001130 Fe\n-0.000001 0.666276 0.501130 Fe\n0.638147 0.000000 0.337217 O\n0.695989 0.695990 0.165805 O\n0.695990 0.000000 0.665804 O\n-0.000000 0.304010 0.165805 O\n-0.000001 0.638147 0.337217 O\n0.361852 0.361852 0.337217 O\n0.638147 0.638147 0.837216 O\n0.304010 0.000000 0.165805 O\n0.666667 0.333333 0.021719 O\n0.361853 0.000000 0.837216 O\n0.000000 0.000000 0.477825 O\n0.666667 0.333333 0.521719 O\n-0.000001 0.695990 0.665804 O\n0.000000 0.000000 0.977824 O\n0.304010 0.304010 0.665804 O\n-0.000000 0.361852 0.837216 O\n0.333332 0.666667 0.521719 O\n0.333332 0.666667 0.021719 O\n","nsites":30,"nelements":3,"elements":["Tm","Fe","O"],"chemical_system":"Fe-O-Tm","density":7.543494551771563,"density_atomic":0.08326933309609547,"volume":360.2766935262835,"volume_molar":7.232123203208866,"formula_full":"Tm6 Fe6 O18","formula_reduced":"TmFeO3","formula_anonymous":"ABC3","energy_above_hull":2.02740205,"spacegroup":185},{"id":"jvasp-98556","created_at":"2022-09-04T14:35:50.722114Z","updated_at":"2022-09-04T14:35:50.722141Z","structure_string":"Fe4 Mo4 O16\n1.0\n6.089005 -0.053950 1.939029\n-0.052944 6.089014 1.939029\n-0.039710 -0.039703 7.706645\nFe Mo O\n4 4 16\ndirect\n0.314249 0.314249 0.842633 Fe\n0.685752 0.685751 0.157366 Fe\n0.305959 0.694042 0.500000 Fe\n0.694043 0.305958 0.500000 Fe\n0.710884 0.710883 0.640976 Mo\n0.289118 0.289117 0.359023 Mo\n0.721530 0.278471 -0.000000 Mo\n0.278472 0.721528 0.000000 Mo\n0.343630 0.640880 0.763300 O\n0.318865 0.003774 0.418179 O\n-0.008719 0.685695 0.084642 O\n0.003774 0.318865 0.418179 O\n0.345324 0.345323 0.080923 O\n0.657688 0.657686 0.425607 O\n0.008720 0.314305 0.915357 O\n0.314305 0.008720 0.915357 O\n0.342314 0.342314 0.574392 O\n0.654678 0.654677 0.919076 O\n0.640881 0.343629 0.763300 O\n0.359120 0.656371 0.236699 O\n0.996227 0.681135 0.581820 O\n0.656372 0.359119 0.236699 O\n0.681136 0.996225 0.581821 O\n0.685696 -0.008720 0.084642 O\n","nsites":24,"nelements":3,"elements":["Fe","Mo","O"],"chemical_system":"Fe-Mo-O","density":4.99994189853357,"density_atomic":0.08372413878189332,"volume":286.65568077709963,"volume_molar":7.192836913722168,"formula_full":"Fe4 Mo4 O16","formula_reduced":"FeMoO4","formula_anonymous":"ABC4","energy_above_hull":3.2217375666666666,"spacegroup":12}]}