{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=526","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=524","results":[{"id":"jvasp-24252","created_at":"2022-09-04T14:37:41.101115Z","updated_at":"2022-09-04T14:37:41.101134Z","structure_string":"Ba2 Sr2 Ta4 O14\n1.0\n3.956146 0.000000 -0.730365\n-0.519460 7.355301 -2.813741\n0.006347 0.017926 11.114128\nBa Sr Ta O\n2 2 4 14\ndirect\n0.738852 0.238851 0.477701 Ba\n0.261150 0.761150 0.522299 Ba\n0.500001 0.500000 -0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.102833 0.854879 0.205666 Ta\n0.102833 0.350787 0.205666 Ta\n0.897169 0.145122 0.794334 Ta\n0.897169 0.649213 0.794334 Ta\n0.592286 0.845618 0.184570 O\n0.078746 0.078746 0.157491 O\n0.886362 0.386361 0.772721 O\n0.193150 0.991790 0.386297 O\n0.000000 0.289426 0.000000 O\n0.193149 0.394509 0.386297 O\n0.592286 0.338953 0.184570 O\n0.000000 0.710573 0.000000 O\n0.806852 0.008211 0.613703 O\n0.806852 0.605492 0.613703 O\n0.407716 0.154382 0.815430 O\n0.921256 0.921255 0.842509 O\n0.407716 0.661047 0.815430 O\n0.113640 0.613640 0.227279 O\n","nsites":22,"nelements":4,"elements":["Ba","Sr","Ta","O"],"chemical_system":"Ba-O-Sr-Ta","density":7.171087709691445,"density_atomic":0.06797539844608888,"volume":323.64650304254036,"volume_molar":8.859294535472483,"formula_full":"Ba2 Sr2 Ta4 O14","formula_reduced":"BaSrTa2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.9457668345454544,"spacegroup":71},{"id":"jvasp-59559","created_at":"2022-09-04T14:37:53.370835Z","updated_at":"2022-09-04T14:37:53.370860Z","structure_string":"Ca6 Co4 O12\n1.0\n6.245443 0.036080 -0.243791\n-0.254895 6.240344 -0.243791\n0.034436 0.036080 6.250104\nCa Co O\n6 4 12\ndirect\n0.750000 0.379512 0.120488 Ca\n0.120489 0.750000 0.379512 Ca\n0.379513 0.120488 0.750000 Ca\n0.879512 0.250000 0.620488 Ca\n0.250001 0.620488 0.879512 Ca\n0.620488 0.879512 0.250000 Ca\n0.750001 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n0.085873 0.291974 0.969231 O\n0.791974 0.585872 0.469232 O\n0.530768 0.208026 0.414128 O\n0.414129 0.530768 0.208026 O\n0.208027 0.414128 0.530768 O\n0.708027 0.030768 0.914128 O\n0.914128 0.708026 0.030768 O\n0.030769 0.914128 0.708026 O\n0.469233 0.791973 0.585872 O\n0.585872 0.469232 0.791973 O\n0.969232 0.085872 0.291974 O\n0.291974 0.969231 0.085872 O\n","nsites":22,"nelements":3,"elements":["Ca","Co","O"],"chemical_system":"Ca-Co-O","density":4.5519259637220815,"density_atomic":0.09025400328245226,"volume":243.75650054159289,"volume_molar":6.672436170120403,"formula_full":"Ca6 Co4 O12","formula_reduced":"Ca3(CoO3)2","formula_anonymous":"A2B3C6","energy_above_hull":1.9612040054545448,"spacegroup":167},{"id":"jvasp-23351","created_at":"2022-09-04T14:37:46.168405Z","updated_at":"2022-09-04T14:37:46.168438Z","structure_string":"Na4 Mg2 Al2 F14\n1.0\n6.159731 0.000000 3.517823\n2.140710 5.939922 3.403377\n-0.011971 0.000514 7.172736\nNa Mg Al F\n4 2 2 14\ndirect\n0.411592 0.500000 0.500000 Na\n0.911592 -0.000000 -0.000000 Na\n0.911432 0.500722 0.999278 Na\n0.411431 0.499277 0.000722 Na\n0.411316 0.999974 0.500026 Mg\n0.911316 0.000025 0.499975 Mg\n0.911310 0.500000 0.500000 Al\n0.411310 -0.000000 -0.000000 Al\n0.998306 0.635609 0.190415 F\n0.824330 0.364390 0.809585 F\n0.498306 0.690415 0.135609 F\n0.210444 0.318467 0.455879 F\n0.161307 0.886347 0.613653 F\n0.112256 0.043955 0.181607 F\n0.337819 0.956044 0.818394 F\n0.612256 0.681607 0.543956 F\n0.837818 0.318392 0.456045 F\n0.484789 0.044122 0.181533 F\n0.710444 0.955877 0.818468 F\n0.984789 0.681532 0.544122 F\n0.661307 0.113652 0.386348 F\n0.324330 0.309584 0.864391 F\n","nsites":22,"nelements":4,"elements":["Na","Mg","Al","F"],"chemical_system":"Al-F-Mg-Na","density":2.911107923216295,"density_atomic":0.08375158093395922,"volume":262.68160856984537,"volume_molar":7.190480099412868,"formula_full":"Na4 Mg2 Al2 F14","formula_reduced":"Na2MgAlF7","formula_anonymous":"ABC2D7","energy_above_hull":0.0,"spacegroup":74},{"id":"jvasp-30085","created_at":"2022-09-04T14:37:51.674576Z","updated_at":"2022-09-04T14:37:51.674605Z","structure_string":"Mg5 H8 O9\n1.0\n3.129561 -0.000007 -0.000006\n-1.564787 2.710290 -0.000000\n-0.000006 -0.000004 21.503773\nMg H O\n5 8 9\ndirect\n-0.000000 0.000001 0.500000 Mg\n0.000015 0.000008 0.281109 Mg\n-0.000016 -0.000007 0.718891 Mg\n0.333369 0.666684 0.056540 Mg\n0.666629 0.333316 0.943460 Mg\n0.666681 0.333342 0.812955 H\n0.333316 0.666659 0.187045 H\n0.666652 0.333326 0.375456 H\n0.333345 0.666674 0.624544 H\n0.666673 0.333337 0.150591 H\n0.333348 0.666675 0.405674 H\n0.666650 0.333326 0.594326 H\n0.333325 0.666664 0.849409 H\n0.333328 0.666664 0.232228 O\n0.666672 0.333336 0.549060 O\n0.333326 0.666664 0.450940 O\n0.666711 0.333355 0.105326 O\n0.333287 0.666646 0.894674 O\n0.000000 0.000000 0.000000 O\n0.666675 0.333338 0.330190 O\n0.333323 0.666663 0.669810 O\n0.666669 0.333336 0.767772 O\n","nsites":22,"nelements":3,"elements":["Mg","H","O"],"chemical_system":"H-Mg-O","density":2.4907211335584476,"density_atomic":0.12061724123854682,"volume":182.3951515894002,"volume_molar":4.992769440058662,"formula_full":"Mg5 H8 O9","formula_reduced":"Mg5H8O9","formula_anonymous":"A5B8C9","energy_above_hull":2.106671670454545,"spacegroup":164},{"id":"jvasp-5407","created_at":"2022-09-04T14:38:11.874861Z","updated_at":"2022-09-04T14:38:11.874889Z","structure_string":"K8 Mn2 Cl12\n1.0\n8.790356 -0.035301 0.036519\n0.036220 8.790352 0.036519\n-0.035590 -0.035301 8.790359\nK Mn Cl\n8 2 12\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n-0.000000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.250026 0.250026 0.958284 Cl\n0.750026 0.750026 0.458284 Cl\n0.541716 0.249974 0.249974 Cl\n0.249974 0.541716 0.249974 Cl\n0.249974 0.249974 0.541716 Cl\n0.749975 0.041716 0.749975 Cl\n0.749975 0.749974 0.041716 Cl\n0.041716 0.749974 0.749975 Cl\n0.458284 0.750026 0.750026 Cl\n0.750026 0.458284 0.750026 Cl\n0.958285 0.250026 0.250026 Cl\n0.250026 0.958284 0.250026 Cl\n","nsites":22,"nelements":3,"elements":["K","Mn","Cl"],"chemical_system":"Cl-K-Mn","density":2.073262580204529,"density_atomic":0.03238781147746624,"volume":679.2678787607016,"volume_molar":18.593848998379816,"formula_full":"K8 Mn2 Cl12","formula_reduced":"K4MnCl6","formula_anonymous":"AB4C6","energy_above_hull":0.0,"spacegroup":229},{"id":"jvasp-42717","created_at":"2022-09-04T14:37:56.610482Z","updated_at":"2022-09-04T14:37:56.610520Z","structure_string":"Li2 Mn4 B4 O12\n1.0\n5.265734 -0.054061 -0.005311\n0.244580 5.917744 0.010781\n0.276426 1.122394 7.595279\nLi Mn B O\n2 4 4 12\ndirect\n0.901736 0.631728 0.697654 Li\n0.098264 0.368271 0.302346 Li\n0.413790 0.426527 0.823530 Mn\n0.095560 0.062845 0.682518 Mn\n0.904440 0.937154 0.317482 Mn\n0.586210 0.573472 0.176470 Mn\n0.418234 0.752304 0.495020 B\n0.924126 0.270037 0.991331 B\n0.075873 0.729962 0.008669 B\n0.581766 0.247695 0.504980 B\n0.959527 0.670375 0.177028 O\n0.840130 0.191057 0.478303 O\n0.438157 0.351535 0.369792 O\n0.464393 0.185038 0.670775 O\n0.535607 0.814961 0.329225 O\n0.323099 0.649323 0.988749 O\n0.159870 0.808942 0.521697 O\n0.040472 0.329623 0.822973 O\n0.943241 0.836405 0.870561 O\n0.056759 0.163594 0.129439 O\n0.561843 0.648464 0.630208 O\n0.676901 0.350675 0.011251 O\n","nsites":22,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.288995711043727,"density_atomic":0.09293590595675193,"volume":236.72228482108716,"volume_molar":6.4798860010063555,"formula_full":"Li2 Mn4 B4 O12","formula_reduced":"LiMn2(BO3)2","formula_anonymous":"AB2C2D6","energy_above_hull":3.3924155135841167,"spacegroup":2},{"id":"jvasp-22787","created_at":"2022-09-04T14:37:50.740168Z","updated_at":"2022-09-04T14:37:50.740193Z","structure_string":"Dy6 Al4 Ni12\n1.0\n7.276678 -0.000000 -2.572694\n-3.638339 6.301788 -2.572694\n0.000000 0.000000 7.718082\nDy Al Ni\n6 4 12\ndirect\n0.293634 -0.000000 0.293634 Dy\n0.706366 0.706366 0.000001 Dy\n0.293634 0.293634 0.000000 Dy\n-0.000000 0.706366 0.706366 Dy\n-0.000000 0.293634 0.293634 Dy\n0.706366 -0.000000 0.706366 Dy\n0.500000 0.500000 0.500000 Al\n-0.000000 -0.000000 0.500000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.666048 -0.000000 0.333953 Ni\n0.333953 -0.000000 0.666048 Ni\n0.333953 0.333953 0.667906 Ni\n0.667906 0.333953 0.333953 Ni\n0.666048 0.666048 0.332095 Ni\n0.666048 0.332094 0.666048 Ni\n-0.000000 0.666048 0.333953 Ni\n0.666048 0.333953 0.000001 Ni\n-0.000000 0.333953 0.666048 Ni\n0.333953 0.666048 0.000001 Ni\n0.333953 0.667906 0.333953 Ni\n0.332094 0.666048 0.666048 Ni\n","nsites":22,"nelements":3,"elements":["Dy","Al","Ni"],"chemical_system":"Al-Dy-Ni","density":8.385468434882204,"density_atomic":0.06216076436575249,"volume":353.9210018485698,"volume_molar":9.688009504783215,"formula_full":"Dy6 Al4 Ni12","formula_reduced":"Dy3(AlNi3)2","formula_anonymous":"A2B3C6","energy_above_hull":1.4659872272727272,"spacegroup":229},{"id":"jvasp-21466","created_at":"2022-09-04T14:37:40.284567Z","updated_at":"2022-09-04T14:37:40.284587Z","structure_string":"Nb10 N12\n1.0\n2.632972 -4.560443 0.000000\n2.632972 4.560443 -0.000000\n0.000000 0.000000 10.512893\nNb N\n10 12\ndirect\n0.333333 0.666667 0.500000 Nb\n0.666667 0.333333 0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666667 0.000000 Nb\n0.675487 0.675487 0.250000 Nb\n0.675487 -0.000000 0.750000 Nb\n-0.000000 0.675487 0.750000 Nb\n-0.000000 0.324512 0.250000 Nb\n0.324512 -0.000000 0.250000 Nb\n0.324512 0.324512 0.750000 Nb\n-0.000000 0.339535 0.877427 N\n-0.000000 0.660464 0.377428 N\n0.660464 -0.000000 0.377428 N\n0.339535 0.339535 0.122572 N\n0.660464 -0.000000 0.122572 N\n0.339535 -0.000000 0.622572 N\n-0.000000 0.660464 0.122572 N\n-0.000000 0.339535 0.622572 N\n0.660464 0.660464 0.622572 N\n0.339535 0.339535 0.377428 N\n0.660464 0.660464 0.877427 N\n0.339535 -0.000000 0.877427 N\n","nsites":22,"nelements":2,"elements":["Nb","N"],"chemical_system":"N-Nb","density":7.216178984233283,"density_atomic":0.08713992229675341,"volume":252.4675191364,"volume_molar":6.910886079851793,"formula_full":"Nb10 N12","formula_reduced":"Nb5N6","formula_anonymous":"A5B6","energy_above_hull":6.318764227272727,"spacegroup":193},{"id":"jvasp-40668","created_at":"2022-09-04T14:37:58.684554Z","updated_at":"2022-09-04T14:37:58.684573Z","structure_string":"Li4 V2 H4 O2 F10\n1.0\n5.793814 -0.286755 0.058545\n1.934168 4.835033 0.134413\n0.707636 0.447280 7.653552\nLi V H O F\n4 2 4 2 10\ndirect\n0.703310 0.784445 0.445441 Li\n0.774529 0.667660 0.027625 Li\n0.236341 0.334982 -0.034192 Li\n0.307687 0.218153 0.547984 Li\n0.766147 0.226933 0.750044 V\n0.244779 0.775664 0.243384 V\n0.209468 0.909875 0.812112 H\n0.159748 0.805155 0.634473 H\n0.851202 0.197461 0.358981 H\n0.801455 0.092783 0.181337 H\n0.885303 0.032611 0.293046 O\n0.125649 0.970023 0.700387 O\n0.385823 0.001129 0.356027 F\n0.267964 0.970258 0.015761 F\n0.924873 0.448065 0.849520 F\n0.211242 0.590351 0.474964 F\n0.435666 0.457928 0.801406 F\n0.575229 0.544620 0.191983 F\n0.799660 0.412254 0.518453 F\n0.085998 0.554577 0.143895 F\n0.742961 0.032361 0.977665 F\n0.625164 0.001419 0.637399 F\n","nsites":22,"nelements":5,"elements":["Li","V","H","O","F"],"chemical_system":"F-H-Li-O-V","density":2.707628460394736,"density_atomic":0.10086156107576275,"volume":218.12075646414567,"volume_molar":5.970699536839841,"formula_full":"Li4 V2 H4 O2 F10","formula_reduced":"Li2VH2OF5","formula_anonymous":"ABC2D2E5","energy_above_hull":1.1552235556818184,"spacegroup":2},{"id":"jvasp-44380","created_at":"2022-09-04T14:37:56.684047Z","updated_at":"2022-09-04T14:37:56.684064Z","structure_string":"Li4 Cr4 O14\n1.0\n6.427631 0.022465 -0.054203\n0.732085 6.339803 -0.146052\n2.720132 0.360078 6.726279\nLi Cr O\n4 4 14\ndirect\n0.085222 0.543601 0.338419 Li\n0.758305 0.841941 0.204231 Li\n0.578947 0.594529 0.902176 Li\n0.051998 0.238490 0.649098 Li\n0.211415 0.031376 0.209477 Cr\n0.612425 0.370688 0.308274 Cr\n0.088135 0.700776 0.778394 Cr\n0.523144 0.141975 0.744243 Cr\n0.291460 0.608290 0.859763 O\n0.288344 0.138875 0.959950 O\n0.638943 0.906945 0.694135 O\n0.746124 0.550395 0.354909 O\n0.053198 0.838996 0.242572 O\n0.455833 0.248229 0.543494 O\n0.442882 0.476085 0.198121 O\n0.126379 0.944422 0.693346 O\n0.788164 0.191245 0.169989 O\n0.703434 0.282054 0.774035 O\n0.084217 0.217296 0.367198 O\n0.440864 0.936658 0.239580 O\n0.087611 0.545510 0.602905 O\n0.835502 0.696868 0.960349 O\n","nsites":22,"nelements":3,"elements":["Li","Cr","O"],"chemical_system":"Cr-Li-O","density":2.7736966044388693,"density_atomic":0.07993192030957083,"volume":275.2342232589373,"volume_molar":7.534087429248119,"formula_full":"Li4 Cr4 O14","formula_reduced":"Li2Cr2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.879734481818182,"spacegroup":1},{"id":"jvasp-5632","created_at":"2022-09-04T14:37:40.063999Z","updated_at":"2022-09-04T14:37:40.064035Z","structure_string":"Ta6 Te2 I14\n1.0\n3.827041 -6.628628 0.000000\n3.827041 6.628628 0.000000\n0.000000 0.000000 14.080248\nTa Te I\n6 2 14\ndirect\n0.130506 0.869494 0.750105 Ta\n0.261013 0.130506 0.250105 Ta\n0.869494 0.738987 0.250105 Ta\n0.130506 0.261013 0.750105 Ta\n0.738987 0.869494 0.750105 Ta\n0.869494 0.130506 0.250105 Ta\n0.000000 0.000000 0.900395 Te\n0.000000 0.000000 0.400395 Te\n0.830582 0.661164 0.618117 I\n0.169418 0.338836 0.118117 I\n0.661164 0.830582 0.118117 I\n0.830582 0.169418 0.618117 I\n0.666667 0.333333 0.144786 I\n0.333333 0.666667 0.644786 I\n0.996470 0.498234 0.859617 I\n0.003530 0.501765 0.359617 I\n0.498234 0.501765 0.359617 I\n0.338836 0.169418 0.618117 I\n0.501765 0.003530 0.859617 I\n0.498234 0.996470 0.359617 I\n0.501765 0.498234 0.859617 I\n0.169418 0.830582 0.118117 I\n","nsites":22,"nelements":3,"elements":["Ta","Te","I"],"chemical_system":"I-Ta-Te","density":7.246619254931114,"density_atomic":0.030796092751275428,"volume":714.376339157144,"volume_molar":19.554885772808273,"formula_full":"Ta6 Te2 I14","formula_reduced":"Ta3TeI7","formula_anonymous":"AB3C7","energy_above_hull":2.028157208333333,"spacegroup":186},{"id":"jvasp-54736","created_at":"2022-09-04T14:37:51.367312Z","updated_at":"2022-09-04T14:37:51.367337Z","structure_string":"Sr2 H8 O12\n1.0\n4.047093 2.972607 0.815790\n-4.047093 2.972607 -0.815790\n0.071177 0.000000 8.283394\nSr H O\n2 8 12\ndirect\n0.829794 0.828789 0.767118 Sr\n0.171212 0.170208 0.267118 Sr\n0.270619 0.670356 0.964605 H\n0.671385 0.269662 0.569615 H\n0.730339 0.328616 0.069615 H\n0.329645 0.729382 0.464605 H\n0.203899 0.389704 0.653190 H\n0.610297 0.796102 0.153190 H\n0.390697 0.202890 0.881016 H\n0.797111 0.609304 0.381016 H\n0.445933 0.483508 0.936819 O\n0.484567 0.444966 0.597356 O\n0.019323 0.649331 0.331314 O\n0.650333 0.018281 0.202908 O\n0.981720 0.349668 0.702907 O\n0.179628 0.833999 0.973007 O\n0.166002 0.820373 0.473007 O\n0.821372 0.164990 0.061226 O\n0.835011 0.178629 0.561226 O\n0.516492 0.554068 0.436819 O\n0.350670 0.980677 0.831313 O\n0.555035 0.515434 0.097356 O\n","nsites":22,"nelements":3,"elements":["Sr","H","O"],"chemical_system":"H-O-Sr","density":3.1322562949132386,"density_atomic":0.11057490327627206,"volume":198.96015594997056,"volume_molar":5.4462093852830655,"formula_full":"Sr2 H8 O12","formula_reduced":"Sr(H2O3)2","formula_anonymous":"AB4C6","energy_above_hull":2.5678824827272724,"spacegroup":15}]}