{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3528","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nsites&page=3526","results":[{"id":"jvasp-13354","created_at":"2022-09-04T14:36:57.306411Z","updated_at":"2022-09-04T14:36:57.306437Z","structure_string":"Nd4 Cd2 S8\n1.0\n7.430418 0.166407 -0.000000\n-2.319917 7.060933 -0.000001\n-2.555251 -3.613670 5.970838\nNd Cd S\n4 2 8\ndirect\n0.114315 0.750000 0.864315 Nd\n0.250000 0.614315 0.364315 Nd\n0.385686 0.250000 0.635686 Nd\n0.750000 0.885686 0.135686 Nd\n0.625000 0.375000 0.250000 Cd\n0.875001 0.125001 0.750000 Cd\n0.006557 0.879535 0.513165 S\n0.120465 0.133629 0.127022 S\n0.379535 0.506558 0.013165 S\n0.493443 0.006607 0.872978 S\n0.633629 0.620465 0.627023 S\n0.506607 0.993442 0.372978 S\n0.866371 0.493394 0.986836 S\n0.993394 0.366371 0.486836 S\n","nsites":14,"nelements":3,"elements":["Nd","Cd","S"],"chemical_system":"Cd-Nd-S","density":5.568875442482355,"density_atomic":0.044364290729158526,"volume":315.5691158339306,"volume_molar":13.574297393290532,"formula_full":"Nd4 Cd2 S8","formula_reduced":"Nd2CdS4","formula_anonymous":"AB2C4","energy_above_hull":1.2145503928571428,"spacegroup":122},{"id":"jvasp-50222","created_at":"2022-09-04T14:36:57.409230Z","updated_at":"2022-09-04T14:36:57.409252Z","structure_string":"Ca4 Pr2 O8\n1.0\n3.614849 0.000000 0.000000\n0.000000 5.950256 0.000000\n0.000000 -0.000000 9.902252\nCa Pr O\n4 2 8\ndirect\n0.500000 0.058229 0.324720 Ca\n0.500000 0.441771 0.824720 Ca\n0.500000 0.558230 0.175280 Ca\n0.500000 0.941771 0.675280 Ca\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.164949 0.783301 O\n0.500000 0.252673 0.037700 O\n0.500000 0.247328 0.537700 O\n0.000000 0.335051 0.283301 O\n0.000000 0.664950 0.716699 O\n0.500000 0.752673 0.462300 O\n0.500000 0.747328 0.962300 O\n0.000000 0.835051 0.216699 O\n","nsites":14,"nelements":3,"elements":["Ca","Pr","O"],"chemical_system":"Ca-O-Pr","density":4.444853919351679,"density_atomic":0.06573069885316457,"volume":212.99028071000006,"volume_molar":9.161838935339523,"formula_full":"Ca4 Pr2 O8","formula_reduced":"Ca2PrO4","formula_anonymous":"AB2C4","energy_above_hull":1.2777120985714283,"spacegroup":55},{"id":"jvasp-13081","created_at":"2022-09-04T14:36:57.497591Z","updated_at":"2022-09-04T14:36:57.497608Z","structure_string":"Ba2 B4 S8\n1.0\n5.996967 0.030272 0.856709\n2.078413 5.784642 2.602206\n0.014889 -0.011308 8.573934\nBa B S\n2 4 8\ndirect\n0.966211 0.105403 0.692738 Ba\n0.466210 0.798140 0.307263 Ba\n0.556333 0.547651 0.960386 B\n0.056333 0.508037 0.039614 B\n0.872397 0.131537 0.266947 B\n0.372397 0.398484 0.733053 B\n0.740632 0.722365 0.969740 S\n0.046671 0.301709 0.273511 S\n0.425751 0.285660 0.567977 S\n0.925751 0.853636 0.432023 S\n0.674087 0.217325 0.094596 S\n0.174087 0.311921 0.905405 S\n0.546672 0.575219 0.726490 S\n0.240631 0.692105 0.030261 S\n","nsites":14,"nelements":3,"elements":["Ba","B","S"],"chemical_system":"B-Ba-S","density":3.2118466869380473,"density_atomic":0.04714175042730337,"volume":296.97666872996587,"volume_molar":12.774537868055319,"formula_full":"Ba2 B4 S8","formula_reduced":"Ba(BS2)2","formula_anonymous":"AB2C4","energy_above_hull":2.498488733809524,"spacegroup":9},{"id":"jvasp-13355","created_at":"2022-09-04T14:36:57.502609Z","updated_at":"2022-09-04T14:36:57.502628Z","structure_string":"Ca2 Nd4 Te8\n1.0\n8.273805 0.047128 -0.000000\n-2.713503 7.816328 -0.000000\n-2.780151 -3.931728 6.728325\nCa Nd Te\n2 4 8\ndirect\n0.625001 0.375000 0.250000 Ca\n0.875001 0.125000 0.750001 Ca\n0.125446 0.750000 0.875446 Nd\n0.250001 0.625446 0.375446 Nd\n0.374555 0.250000 0.624555 Nd\n0.750001 0.874555 0.124555 Nd\n0.002320 0.857057 0.503049 Te\n-0.000728 0.354009 0.496952 Te\n0.497681 0.000729 0.854738 Te\n0.142943 0.145991 0.145262 Te\n0.357058 0.502320 0.003048 Te\n0.645992 0.642943 0.645263 Te\n0.500730 0.997681 0.354738 Te\n0.854010 0.499272 0.996952 Te\n","nsites":14,"nelements":3,"elements":["Ca","Nd","Te"],"chemical_system":"Ca-Nd-Te","density":6.390699934758754,"density_atomic":0.03211109228157879,"volume":435.98641482623736,"volume_molar":18.75408256808109,"formula_full":"Ca2 Nd4 Te8","formula_reduced":"Ca(NdTe2)2","formula_anonymous":"AB2C4","energy_above_hull":0.8350420695238094,"spacegroup":122},{"id":"jvasp-47641","created_at":"2022-09-04T14:36:57.620844Z","updated_at":"2022-09-04T14:36:57.620857Z","structure_string":"Na4 Sn4 O6\n1.0\n-3.881419 3.881419 3.881419\n3.881419 -3.881419 3.881419\n3.881419 3.881419 -3.881419\nNa Sn O\n4 4 6\ndirect\n0.500000 0.000000 0.438584 Na\n0.061416 0.061416 0.061416 Na\n0.438584 0.500000 0.000000 Na\n0.000000 0.438584 0.500000 Na\n0.963015 0.500000 0.000000 Sn\n0.500000 0.000000 0.963015 Sn\n0.536985 0.536985 0.536985 Sn\n0.000000 0.963015 0.500000 Sn\n0.549514 0.299514 0.250000 O\n0.950486 0.200486 0.750000 O\n0.750000 0.950486 0.200486 O\n0.299514 0.250000 0.549514 O\n0.250000 0.549514 0.299514 O\n0.200486 0.750000 0.950486 O\n","nsites":14,"nelements":3,"elements":["Na","Sn","O"],"chemical_system":"Na-O-Sn","density":4.705405545034234,"density_atomic":0.0598544524190227,"volume":233.90072808602918,"volume_molar":10.06130791714681,"formula_full":"Na4 Sn4 O6","formula_reduced":"Na2Sn2O3","formula_anonymous":"A2B2C3","energy_above_hull":0.8623459857142859,"spacegroup":199},{"id":"jvasp-12128","created_at":"2022-09-04T14:36:57.816488Z","updated_at":"2022-09-04T14:36:57.816512Z","structure_string":"Sr4 Fe2 Br2 O6\n1.0\n3.925504 -0.000000 0.000000\n-0.000000 3.925504 0.000000\n0.000000 0.000000 15.372014\nSr Fe Br O\n4 2 2 6\ndirect\n0.749999 0.749999 0.677976 Sr\n0.250000 0.250000 0.090473 Sr\n0.749999 0.749999 0.909527 Sr\n0.250000 0.250000 0.322024 Sr\n0.250000 0.250000 0.804757 Fe\n0.749999 0.749999 0.195243 Fe\n0.749999 0.749999 0.414864 Br\n0.250000 0.250000 0.585136 Br\n0.749999 0.250000 0.785331 O\n0.250000 0.749999 0.785331 O\n0.749999 0.250000 0.214669 O\n0.250000 0.749999 0.214669 O\n0.749999 0.749999 0.070116 O\n0.250000 0.250000 0.929884 O\n","nsites":14,"nelements":4,"elements":["Sr","Fe","Br","O"],"chemical_system":"Br-Fe-O-Sr","density":5.033110172935909,"density_atomic":0.059102576784737036,"volume":236.87630491967712,"volume_molar":10.189303220964113,"formula_full":"Sr4 Fe2 Br2 O6","formula_reduced":"Sr2FeBrO3","formula_anonymous":"ABC2D3","energy_above_hull":1.1992761035714288,"spacegroup":129},{"id":"jvasp-12986","created_at":"2022-09-04T14:36:58.054619Z","updated_at":"2022-09-04T14:36:58.054633Z","structure_string":"Bi2 Te4 Br8\n1.0\n7.208713 0.082879 0.034146\n-0.551777 7.610953 -0.147826\n-1.949771 -0.594004 9.077099\nBi Te Br\n2 4 8\ndirect\n0.285959 0.095663 0.615130 Bi\n0.714040 0.904337 0.384870 Bi\n0.890283 0.552075 0.802106 Te\n0.109717 0.447926 0.197894 Te\n0.762838 0.364973 0.006339 Te\n0.237161 0.635027 0.993661 Te\n0.554526 0.554564 0.319726 Br\n0.445474 0.445437 0.680274 Br\n0.788599 0.917977 0.110436 Br\n0.211400 0.082023 0.889564 Br\n0.639324 0.948061 0.701843 Br\n0.360675 0.051939 0.298157 Br\n0.068241 0.745874 0.531372 Br\n0.931759 0.254126 0.468628 Br\n","nsites":14,"nelements":3,"elements":["Bi","Te","Br"],"chemical_system":"Bi-Br-Te","density":5.223434366967459,"density_atomic":0.028093239409570012,"volume":498.3405365217823,"volume_molar":21.4362632667721,"formula_full":"Bi2 Te4 Br8","formula_reduced":"Bi(TeBr2)2","formula_anonymous":"AB2C4","energy_above_hull":0.3208737504761905,"spacegroup":2},{"id":"jvasp-47472","created_at":"2022-09-04T14:36:58.893613Z","updated_at":"2022-09-04T14:36:58.893641Z","structure_string":"Li2 Cr2 P2 O8\n1.0\n2.768720 4.040787 0.000000\n-2.768720 4.040787 0.000000\n0.000000 -0.000000 6.408696\nLi Cr P O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.207950 0.207950 0.250000 Cr\n0.792051 0.792051 0.750000 Cr\n0.144603 0.144603 0.750000 P\n0.855397 0.855397 0.250000 P\n0.196866 0.740894 0.250000 O\n0.259107 0.803134 0.750000 O\n0.743704 0.743704 0.054623 O\n0.256297 0.256297 0.554624 O\n0.256297 0.256297 0.945377 O\n0.743704 0.743704 0.445377 O\n0.740894 0.196866 0.250000 O\n0.803134 0.259107 0.750000 O\n","nsites":14,"nelements":4,"elements":["Li","Cr","P","O"],"chemical_system":"Cr-Li-O-P","density":3.5644861250721753,"density_atomic":0.09763001876250843,"volume":143.3985179707477,"volume_molar":6.168328999965944,"formula_full":"Li2 Cr2 P2 O8","formula_reduced":"LiCrPO4","formula_anonymous":"ABCD4","energy_above_hull":2.649925271428572,"spacegroup":63},{"id":"jvasp-59593","created_at":"2022-09-04T14:36:58.083255Z","updated_at":"2022-09-04T14:36:58.083280Z","structure_string":"Ni2 Rh4 O8\n1.0\n5.258120 0.000000 -2.962310\n-1.668901 4.986241 -2.962310\n-0.065663 -0.091222 6.031201\nNi Rh O\n2 4 8\ndirect\n0.125000 0.874999 0.250000 Ni\n0.875001 0.125001 0.750001 Ni\n0.500000 0.500001 -0.000000 Rh\n0.000000 0.500000 0.500001 Rh\n0.500000 0.500000 0.499999 Rh\n0.500000 -0.000000 -0.000000 Rh\n0.258952 0.740616 0.517906 O\n0.722710 0.741047 0.982096 O\n0.259387 0.741047 0.982096 O\n0.741049 0.259386 0.482097 O\n0.741047 0.722708 0.482095 O\n0.277291 0.258953 0.017906 O\n0.258954 0.277292 0.517906 O\n0.740614 0.258953 0.017906 O\n","nsites":14,"nelements":3,"elements":["Ni","Rh","O"],"chemical_system":"Ni-O-Rh","density":7.025632028071176,"density_atomic":0.09015635067957295,"volume":155.2857884605131,"volume_molar":6.6796634009770965,"formula_full":"Ni2 Rh4 O8","formula_reduced":"Ni(RhO2)2","formula_anonymous":"AB2C4","energy_above_hull":2.5653331999999995,"spacegroup":227},{"id":"jvasp-85006","created_at":"2022-09-04T14:36:58.122719Z","updated_at":"2022-09-04T14:36:58.122730Z","structure_string":"Na2 Mn4 O8\n1.0\n4.861160 0.000000 -0.993175\n0.000000 5.713556 0.000000\n0.289904 0.000000 5.782512\nNa Mn O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 Mn\n0.500000 0.752060 0.500000 Mn\n0.500000 0.247941 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.200347 0.752614 0.682419 O\n0.799653 0.247387 0.317581 O\n0.799653 0.752614 0.317581 O\n0.200347 0.247387 0.682419 O\n0.696669 0.500000 0.673742 O\n0.303331 0.500000 0.326258 O\n0.697773 0.000000 0.673975 O\n0.302227 0.000000 0.326026 O\n","nsites":14,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":4.029539763191152,"density_atomic":0.08628578926919134,"volume":162.25151463033268,"volume_molar":6.9792961401933065,"formula_full":"Na2 Mn4 O8","formula_reduced":"NaMn2O4","formula_anonymous":"AB2C4","energy_above_hull":2.566641068965517,"spacegroup":10},{"id":"jvasp-50211","created_at":"2022-09-04T14:36:58.270933Z","updated_at":"2022-09-04T14:36:58.270968Z","structure_string":"Ca4 Ce2 O8\n1.0\n3.523854 0.000000 0.000000\n0.000000 5.831381 -0.000000\n0.000000 -0.000000 9.947251\nCa Ce O\n4 2 8\ndirect\n0.499999 0.060172 0.678564 Ca\n0.499999 0.439828 0.178564 Ca\n0.499999 0.560172 0.821436 Ca\n0.499999 0.939827 0.321436 Ca\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.155023 0.203731 O\n0.499999 0.241283 0.960800 O\n0.499999 0.258717 0.460800 O\n0.000000 0.344977 0.703731 O\n0.000000 0.655023 0.296269 O\n0.499999 0.741283 0.539199 O\n0.499999 0.758717 0.039200 O\n0.000000 0.844977 0.796269 O\n","nsites":14,"nelements":3,"elements":["Ca","Ce","O"],"chemical_system":"Ca-Ce-O","density":4.618671887955162,"density_atomic":0.06849133558492737,"volume":204.40541683758505,"volume_molar":8.792558516445794,"formula_full":"Ca4 Ce2 O8","formula_reduced":"Ca2CeO4","formula_anonymous":"AB2C4","energy_above_hull":1.2977743342857138,"spacegroup":55},{"id":"jvasp-101835","created_at":"2022-09-04T14:36:58.358836Z","updated_at":"2022-09-04T14:36:58.358864Z","structure_string":"H6 C2 N2 O4\n1.0\n4.127613 -0.093013 -0.050437\n-0.446774 4.553132 -0.161613\n0.258436 0.162783 6.062473\nH C N O\n6 2 2 4\ndirect\n0.383522 0.965164 0.242881 H\n0.883533 0.465160 0.742911 H\n0.218023 0.157751 0.657655 H\n0.718009 0.657769 0.157683 H\n0.069702 0.078499 0.066162 H\n0.569721 0.578470 0.566175 H\n0.188358 0.105666 0.225812 C\n0.688373 0.605658 0.725825 C\n0.099242 0.961012 0.599222 N\n0.599239 0.461029 0.099241 N\n0.947605 0.056564 0.389227 O\n0.447616 0.556581 0.889242 O\n0.834571 0.912697 0.747341 O\n0.334557 0.412700 0.247350 O\n","nsites":14,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.7804353160207698,"density_atomic":0.1229590433227287,"volume":113.85905112529558,"volume_molar":4.897680233404047,"formula_full":"H6 C2 N2 O4","formula_reduced":"H3CNO2","formula_anonymous":"ABC2D3","energy_above_hull":3.8481114642857146,"spacegroup":1}]}