{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=506","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=504","results":[{"id":"jvasp-22756","created_at":"2022-09-04T14:37:35.613859Z","updated_at":"2022-09-04T14:37:35.613875Z","structure_string":"Ho2 Al14 Au6\n1.0\n7.097556 -0.011641 4.555414\n2.483297 6.648961 4.555414\n-0.016804 -0.011641 8.433672\nHo Al Au\n2 14 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500000 0.499999 Ho\n0.647489 0.430639 0.831955 Al\n0.168044 0.352512 0.569360 Al\n0.331957 0.930639 0.147487 Al\n0.930640 0.147488 0.331955 Al\n0.750001 0.750000 0.749998 Al\n0.250000 0.250000 0.249999 Al\n0.147488 0.331957 0.930638 Al\n0.352513 0.569361 0.168043 Al\n0.852513 0.668044 0.069360 Al\n0.069362 0.852512 0.668043 Al\n0.668044 0.069361 0.852511 Al\n0.831957 0.647488 0.430638 Al\n0.430640 0.831956 0.647486 Al\n0.569361 0.168044 0.352512 Al\n0.250001 0.574339 0.925660 Au\n0.074339 0.750000 0.425661 Au\n0.750001 0.425662 0.074338 Au\n0.425662 0.074339 0.749999 Au\n0.925662 0.250000 0.574337 Au\n0.574339 0.925662 0.249999 Au\n","nsites":22,"nelements":3,"elements":["Ho","Al","Au"],"chemical_system":"Al-Au-Ho","density":7.863321099673731,"density_atomic":0.05513854685635223,"volume":398.9949183338968,"volume_molar":10.92183436696105,"formula_full":"Ho2 Al14 Au6","formula_reduced":"HoAl7Au3","formula_anonymous":"AB3C7","energy_above_hull":1.546108897878788,"spacegroup":167},{"id":"jvasp-22428","created_at":"2022-09-04T14:37:42.070574Z","updated_at":"2022-09-04T14:37:42.070594Z","structure_string":"Nd6 Ir2 O14\n1.0\n6.646559 -0.025350 0.000000\n-2.440151 6.182478 0.000000\n0.000000 -0.000000 7.569345\nNd Ir O\n6 2 14\ndirect\n0.529453 0.085786 0.250000 Nd\n0.470548 0.914214 0.750000 Nd\n0.085786 0.529453 0.250000 Nd\n0.914214 0.470548 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.439573 0.186873 0.540969 O\n0.560427 0.813127 0.040969 O\n0.813127 0.560427 0.040969 O\n0.590797 0.590797 0.750000 O\n0.439573 0.186873 0.959030 O\n0.813127 0.560427 0.459030 O\n0.186873 0.439573 0.959030 O\n0.158695 0.895784 0.250000 O\n0.841305 0.104217 0.750000 O\n0.895784 0.158695 0.250000 O\n0.104217 0.841305 0.750000 O\n0.409204 0.409203 0.250000 O\n0.560427 0.813127 0.459030 O\n0.186873 0.439573 0.540969 O\n","nsites":22,"nelements":3,"elements":["Nd","Ir","O"],"chemical_system":"Ir-Nd-O","density":7.880377570610116,"density_atomic":0.07083684192963798,"volume":310.5728516504524,"volume_molar":8.501424676698285,"formula_full":"Nd6 Ir2 O14","formula_reduced":"Nd3IrO7","formula_anonymous":"AB3C7","energy_above_hull":2.6530327363636363,"spacegroup":63},{"id":"jvasp-103922","created_at":"2022-09-04T14:37:07.702987Z","updated_at":"2022-09-04T14:37:07.703014Z","structure_string":"Zn1 H10 C7 O4\n1.0\n3.984261 -0.089927 0.998567\n2.263632 3.978225 0.677652\n0.191073 -0.356537 11.654953\nZn H C O\n1 10 7 4\ndirect\n0.820449 0.869417 0.816495 Zn\n0.266747 0.101557 0.430833 H\n0.417003 0.121091 0.200851 H\n0.926301 0.307339 0.202311 H\n0.799469 0.781837 0.323888 H\n0.290810 0.598431 0.320292 H\n0.437768 0.637361 0.102249 H\n0.954643 0.817017 0.099565 H\n0.134685 0.624048 0.534865 H\n0.645169 0.758629 0.556720 H\n0.772635 0.286696 0.438043 H\n0.929760 0.341385 0.659839 C\n0.927569 0.533194 0.544562 C\n0.006289 0.343394 0.433721 C\n0.060364 0.539545 0.320947 C\n0.156448 0.362712 0.204891 C\n0.213252 0.575572 0.098212 C\n0.331328 0.432629 0.975178 C\n0.282866 0.635823 0.888611 O\n0.980338 0.426623 0.750198 O\n0.884807 0.085476 0.661800 O\n0.488807 0.117540 0.964355 O\n","nsites":22,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":1.9905940077669384,"density_atomic":0.11796697048920878,"volume":186.4928793946818,"volume_molar":5.104938047511261,"formula_full":"Zn1 H10 C7 O4","formula_reduced":"ZnH10C7O4","formula_anonymous":"AB4C7D10","energy_above_hull":4.367237018181818,"spacegroup":1},{"id":"jvasp-56764","created_at":"2022-09-04T14:37:06.296341Z","updated_at":"2022-09-04T14:37:06.296357Z","structure_string":"Tl8 Cr2 I12\n1.0\n9.118987 0.000000 0.000000\n0.000000 9.118987 -0.000000\n0.000000 0.000000 9.703996\nTl Cr I\n8 2 12\ndirect\n0.355706 0.144294 0.250000 Tl\n0.144294 0.644294 0.750000 Tl\n0.644294 0.855706 0.750000 Tl\n0.855706 0.355706 0.750000 Tl\n0.355706 0.144294 0.750000 Tl\n0.144294 0.644294 0.250000 Tl\n0.855706 0.355706 0.250000 Tl\n0.644294 0.855706 0.250000 Tl\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.715442 I\n0.199717 0.361545 0.000000 I\n0.000000 0.000000 0.784559 I\n0.361545 0.800283 0.000000 I\n0.500000 0.500000 0.284559 I\n0.300283 0.861545 0.500000 I\n0.138455 0.300283 0.500000 I\n0.638455 0.199717 0.000000 I\n0.800283 0.638455 0.000000 I\n0.861545 0.699717 0.500000 I\n0.000000 0.000000 0.215441 I\n0.699717 0.138455 0.500000 I\n","nsites":22,"nelements":3,"elements":["Tl","Cr","I"],"chemical_system":"Cr-I-Tl","density":6.712395968199993,"density_atomic":0.027263328647038516,"volume":806.9447529617685,"volume_molar":22.08879494490544,"formula_full":"Tl8 Cr2 I12","formula_reduced":"Tl4CrI6","formula_anonymous":"AB4C6","energy_above_hull":0.0003590909090912,"spacegroup":128},{"id":"jvasp-50783","created_at":"2022-09-04T14:37:07.345280Z","updated_at":"2022-09-04T14:37:07.345294Z","structure_string":"Li8 H6 Br2 O6\n1.0\n0.000000 5.395024 -0.059685\n7.481055 0.000000 0.000000\n0.000000 -0.380700 -6.432519\nLi H Br O\n8 6 2 6\ndirect\n0.072854 0.750000 0.919171 Li\n0.349851 0.478733 0.135101 Li\n0.349851 0.021267 0.135101 Li\n0.402312 0.750000 0.686613 Li\n0.597687 0.250000 0.313388 Li\n0.650148 0.978733 0.864900 Li\n0.650148 0.521266 0.864900 Li\n0.927145 0.250000 0.080830 Li\n0.806256 0.535297 0.230968 H\n0.806256 0.964702 0.230968 H\n0.838169 0.750000 0.628914 H\n0.161830 0.250000 0.371087 H\n0.193744 0.035297 0.769033 H\n0.193744 0.464702 0.769033 H\n0.166101 0.750000 0.334217 Br\n0.833898 0.250000 0.665784 Br\n0.289830 0.947530 0.851291 O\n0.289830 0.552469 0.851291 O\n0.244244 0.250000 0.238952 O\n0.755755 0.750000 0.761049 O\n0.710169 0.447530 0.148709 O\n0.710169 0.052469 0.148709 O\n","nsites":22,"nelements":4,"elements":["Li","H","Br","O"],"chemical_system":"Br-H-Li-O","density":2.0286500763524167,"density_atomic":0.08468395144496774,"volume":259.7894834217414,"volume_molar":7.111312896060969,"formula_full":"Li8 H6 Br2 O6","formula_reduced":"Li4H3BrO3","formula_anonymous":"AB3C3D4","energy_above_hull":1.7892149640909083,"spacegroup":11},{"id":"jvasp-52146","created_at":"2022-09-04T14:37:19.742958Z","updated_at":"2022-09-04T14:37:19.742993Z","structure_string":"Nb4 Tl4 O14\n1.0\n7.613764 0.000000 0.000000\n3.806882 6.593714 -0.000000\n3.806882 2.197905 6.216613\nNb Tl O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n-0.000000 0.000000 0.500000 Nb\n0.500000 -0.000000 -0.000000 Nb\n0.499999 0.000000 0.500000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.312499 0.937500 0.937500 O\n0.937499 0.312500 0.312500 O\n0.937500 0.937500 0.312500 O\n0.624999 0.625000 0.625000 O\n0.312500 0.937500 0.312500 O\n0.312499 0.312500 0.937500 O\n0.062500 0.687500 0.687500 O\n0.375000 0.375000 0.375000 O\n0.062499 0.062500 0.687500 O\n0.062500 0.687500 0.062500 O\n0.937499 0.312500 0.937500 O\n0.687499 0.062500 0.687500 O\n0.687500 0.687500 0.062500 O\n0.687500 0.062500 0.062500 O\n","nsites":22,"nelements":3,"elements":["Nb","Tl","O"],"chemical_system":"Nb-O-Tl","density":7.518896548379585,"density_atomic":0.07049191869249202,"volume":312.09251227748445,"volume_molar":8.543022904895635,"formula_full":"Nb4 Tl4 O14","formula_reduced":"Nb2Tl2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.738395318181818,"spacegroup":227},{"id":"jvasp-5629","created_at":"2022-09-04T14:37:07.416679Z","updated_at":"2022-09-04T14:37:07.416705Z","structure_string":"Ta6 Se2 I14\n1.0\n3.807006 -6.593927 -0.000000\n3.807006 6.593927 0.000000\n-0.000000 -0.000000 13.744326\nTa Se I\n6 2 14\ndirect\n0.129531 0.870470 0.750260 Ta\n0.259062 0.129531 0.250260 Ta\n0.870470 0.740939 0.250260 Ta\n0.129531 0.259062 0.750260 Ta\n0.740939 0.870470 0.750260 Ta\n0.870470 0.129531 0.250260 Ta\n0.000000 0.000000 0.888516 Se\n0.000000 0.000000 0.388515 Se\n0.830926 0.661852 0.614310 I\n0.169075 0.338149 0.114310 I\n0.661852 0.830926 0.114310 I\n0.830926 0.169075 0.614310 I\n0.666668 0.333334 0.144112 I\n0.333334 0.666668 0.644112 I\n0.994688 0.497345 0.863389 I\n0.005313 0.502657 0.363389 I\n0.497344 0.502657 0.363389 I\n0.338149 0.169075 0.614310 I\n0.502657 0.005313 0.863389 I\n0.497345 0.994688 0.363389 I\n0.502657 0.497344 0.863389 I\n0.169075 0.830926 0.114310 I\n","nsites":22,"nelements":3,"elements":["Ta","Se","I"],"chemical_system":"I-Se-Ta","density":7.267979720154215,"density_atomic":0.03188170518232541,"volume":690.0509202436377,"volume_molar":18.889017151248726,"formula_full":"Ta6 Se2 I14","formula_reduced":"Ta3SeI7","formula_anonymous":"AB3C7","energy_above_hull":2.0747413537878785,"spacegroup":186},{"id":"jvasp-54221","created_at":"2022-09-04T14:37:05.441488Z","updated_at":"2022-09-04T14:37:05.441526Z","structure_string":"Li2 Bi2 P4 O14\n1.0\n-6.319463 0.185456 -0.062099\n-0.033293 -6.821674 0.034081\n2.804517 0.537030 6.203485\nLi Bi P O\n2 2 4 14\ndirect\n0.744790 0.696733 0.910840 Li\n0.255208 0.303266 0.089158 Li\n0.796643 0.137573 0.253863 Bi\n0.203355 0.862426 0.746136 Bi\n0.263817 0.862925 0.239545 P\n0.736181 0.137074 0.760454 P\n0.678178 0.632320 0.344458 P\n0.321820 0.367678 0.655541 P\n0.544725 0.279596 0.622366 O\n0.874084 0.646362 0.572642 O\n0.284037 0.243524 0.814561 O\n0.378158 0.034622 0.177532 O\n0.592978 0.418168 0.250062 O\n0.090557 0.747004 0.029095 O\n0.909441 0.252995 0.970904 O\n0.407020 0.581831 0.749937 O\n0.715961 0.756474 0.185438 O\n0.845563 0.065881 0.605711 O\n0.154435 0.934117 0.394288 O\n0.621840 0.965376 0.822467 O\n0.455273 0.720402 0.377633 O\n0.125914 0.353636 0.427357 O\n","nsites":22,"nelements":4,"elements":["Li","Bi","P","O"],"chemical_system":"Bi-Li-O-P","density":4.860019650907429,"density_atomic":0.08257862973175636,"volume":266.41275196093136,"volume_molar":7.292614057125885,"formula_full":"Li2 Bi2 P4 O14","formula_reduced":"LiBiP2O7","formula_anonymous":"ABC2D7","energy_above_hull":2.4864672545454543,"spacegroup":2},{"id":"jvasp-45318","created_at":"2022-09-04T14:37:07.448452Z","updated_at":"2022-09-04T14:37:07.448471Z","structure_string":"Na12 Zn2 S8\n1.0\n4.461001 -7.726679 0.000000\n4.461001 7.726679 -0.000000\n0.000000 0.000000 6.875901\nNa Zn S\n12 2 8\ndirect\n0.147108 0.852892 0.538394 Na\n0.469835 0.530165 0.865703 Na\n0.530165 0.060331 0.365703 Na\n0.469835 0.939669 0.865703 Na\n0.060331 0.530165 0.865703 Na\n0.530165 0.469835 0.365703 Na\n0.939669 0.469835 0.365703 Na\n0.705784 0.852892 0.538394 Na\n0.147108 0.294216 0.538394 Na\n0.852892 0.705784 0.038394 Na\n0.294216 0.147108 0.038394 Na\n0.852892 0.147108 0.038394 Na\n0.666667 0.333333 0.748863 Zn\n0.333333 0.666667 0.248863 Zn\n0.812880 0.625762 0.640835 S\n0.812880 0.187120 0.640835 S\n0.625762 0.812880 0.140835 S\n0.333333 0.666667 0.595839 S\n0.666667 0.333333 0.095839 S\n0.187120 0.812880 0.140835 S\n0.374238 0.187120 0.640835 S\n0.187120 0.374238 0.140835 S\n","nsites":22,"nelements":3,"elements":["Na","Zn","S"],"chemical_system":"Na-S-Zn","density":2.323372195261437,"density_atomic":0.04641281175423571,"volume":474.00705039147397,"volume_molar":12.97516899404486,"formula_full":"Na12 Zn2 S8","formula_reduced":"Na6ZnS4","formula_anonymous":"AB4C6","energy_above_hull":0.1089923636363638,"spacegroup":186},{"id":"jvasp-54884","created_at":"2022-09-04T14:37:19.661553Z","updated_at":"2022-09-04T14:37:19.661576Z","structure_string":"Mg2 B4 H16\n1.0\n4.306414 0.000000 0.000000\n0.000000 5.334074 0.000000\n0.000000 0.000000 8.450067\nMg B H\n2 4 16\ndirect\n0.000000 0.716394 0.504380 Mg\n0.000000 0.283605 0.004379 Mg\n0.000000 0.527151 0.246233 B\n0.000000 0.472848 0.746233 B\n0.499999 0.055282 0.976933 B\n0.499999 0.944718 0.476932 B\n0.240398 0.524532 0.676218 H\n0.721794 -0.003306 0.563262 H\n0.000000 0.595546 0.870056 H\n0.721794 0.003306 0.063262 H\n0.499999 0.718083 0.444111 H\n0.000000 0.244815 0.763396 H\n0.240398 0.475467 0.176218 H\n0.000000 0.755184 0.263396 H\n0.278205 0.003306 0.063262 H\n0.759601 0.475467 0.176218 H\n0.000000 0.404454 0.370055 H\n0.499999 0.932985 0.856965 H\n0.499999 0.067014 0.356964 H\n0.278205 -0.003306 0.563262 H\n0.759601 0.524532 0.676218 H\n0.499999 0.281916 0.944111 H\n","nsites":22,"nelements":3,"elements":["Mg","B","H"],"chemical_system":"B-H-Mg","density":0.9237652816753309,"density_atomic":0.1133411756936143,"volume":194.10421557184793,"volume_molar":5.3132859467411455,"formula_full":"Mg2 B4 H16","formula_reduced":"Mg(BH4)2","formula_anonymous":"AB2C8","energy_above_hull":3.133770383333333,"spacegroup":26},{"id":"jvasp-59617","created_at":"2022-09-04T14:37:19.671216Z","updated_at":"2022-09-04T14:37:19.671241Z","structure_string":"Nd4 Ru4 O14\n1.0\n6.368997 -0.000000 3.677142\n2.122999 6.004748 3.677142\n-0.000000 -0.000000 7.354283\nNd Ru O\n4 4 14\ndirect\n0.500000 0.500000 0.499999 Nd\n-0.000000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 -0.000000 Nd\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n-0.000000 0.500000 -0.000000 Ru\n0.671395 0.078605 0.078605 O\n0.078605 0.078605 0.671395 O\n0.671395 0.671395 0.078604 O\n0.328605 0.921395 0.921394 O\n0.375000 0.375000 0.374999 O\n0.671395 0.078605 0.671394 O\n0.078605 0.671395 0.078605 O\n0.328605 0.921395 0.328604 O\n0.328605 0.328605 0.921394 O\n0.921395 0.921395 0.328604 O\n0.921395 0.328605 0.921394 O\n0.078605 0.671395 0.671394 O\n0.625000 0.625000 0.624999 O\n0.921395 0.328605 0.328604 O\n","nsites":22,"nelements":3,"elements":["Nd","Ru","O"],"chemical_system":"Nd-O-Ru","density":7.1156785670125435,"density_atomic":0.07821976600022197,"volume":281.258831686323,"volume_molar":7.699001247309933,"formula_full":"Nd4 Ru4 O14","formula_reduced":"Nd2Ru2O7","formula_anonymous":"A2B2C7","energy_above_hull":2.996716227272727,"spacegroup":227},{"id":"jvasp-21233","created_at":"2022-09-04T14:37:07.567134Z","updated_at":"2022-09-04T14:37:07.567169Z","structure_string":"Sr8 Pt2 O12\n1.0\n6.921696 0.008807 -0.014179\n-0.014227 6.921688 -0.014179\n0.008778 0.008807 6.921706\nSr Pt O\n8 2 12\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750001 0.750000 Sr\n0.617677 0.882324 0.250000 Sr\n0.250000 0.617678 0.882323 Sr\n0.882323 0.250001 0.617677 Sr\n0.382323 0.117678 0.750000 Sr\n0.750000 0.382323 0.117677 Sr\n0.117677 0.750000 0.382323 Sr\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500001 0.500000 Pt\n0.072908 0.286851 0.941863 O\n0.786851 0.572909 0.441862 O\n0.558138 0.213149 0.427092 O\n0.427092 0.558138 0.213149 O\n0.213149 0.427092 0.558138 O\n0.713150 0.058138 0.927092 O\n0.927092 0.713150 0.058138 O\n0.058137 0.927092 0.713149 O\n0.441862 0.786852 0.572908 O\n0.572908 0.441863 0.786851 O\n0.941863 0.072909 0.286851 O\n0.286851 0.941863 0.072908 O\n","nsites":22,"nelements":3,"elements":["Sr","Pt","O"],"chemical_system":"O-Pt-Sr","density":6.425035869831031,"density_atomic":0.06634093602176362,"volume":331.6202833312865,"volume_molar":9.077563750418586,"formula_full":"Sr8 Pt2 O12","formula_reduced":"Sr4PtO6","formula_anonymous":"AB4C6","energy_above_hull":1.4028452399999998,"spacegroup":167}]}