{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4396","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4394","results":[{"id":"jvasp-107876","created_at":"2022-09-04T14:36:53.158041Z","updated_at":"2022-09-04T14:36:53.158075Z","structure_string":"Ba1 Ni1 I1 O6\n1.0\n5.164955 -0.000000 0.000000\n-2.582478 4.472983 0.000000\n-0.000000 -0.000000 5.804889\nBa Ni I O\n1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666666 0.500000 Ni\n0.666667 0.333333 0.500000 I\n0.387694 0.006355 0.688772 O\n0.993646 0.381338 0.688772 O\n0.618661 0.612306 0.688772 O\n0.993646 0.612306 0.311228 O\n0.618662 0.006355 0.311228 O\n0.387694 0.381338 0.311228 O\n","nsites":9,"nelements":4,"elements":["Ba","Ni","I","O"],"chemical_system":"Ba-I-Ni-O","density":5.1870901937719225,"density_atomic":0.06710962315963248,"volume":134.10893365608473,"volume_molar":8.973587507227153,"formula_full":"Ba1 Ni1 I1 O6","formula_reduced":"BaNiIO6","formula_anonymous":"ABCD6","energy_above_hull":1.8246628494444448,"spacegroup":149},{"id":"jvasp-65353","created_at":"2022-09-04T14:35:47.117931Z","updated_at":"2022-09-04T14:35:47.117957Z","structure_string":"Ba1 Ni1 Ge2\n1.0\n3.383148 0.000000 -0.000000\n0.000000 3.383148 0.000000\n0.000000 -0.000000 7.347301\nBa Ni Ge\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.829040 Ge\n0.000000 0.000000 0.170960 Ge\n","nsites":4,"nelements":3,"elements":["Ba","Ni","Ge"],"chemical_system":"Ba-Ge-Ni","density":6.739319851412912,"density_atomic":0.04756529179092225,"volume":84.09493244743204,"volume_molar":12.660788010028178,"formula_full":"Ba1 Ni1 Ge2","formula_reduced":"BaNiGe2","formula_anonymous":"ABC2","energy_above_hull":0.5641800674999999,"spacegroup":123},{"id":"jvasp-85447","created_at":"2022-09-04T14:35:45.281690Z","updated_at":"2022-09-04T14:35:45.281723Z","structure_string":"Ba1 Ni1 F6\n1.0\n4.805402 -0.031670 -0.704612\n-0.810914 4.736593 -0.704612\n-0.026888 -0.031670 4.856712\nBa Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.733048 0.733047 0.073681 F\n0.733047 0.073681 0.733048 F\n0.266952 0.926319 0.266952 F\n0.266952 0.266952 0.926319 F\n0.926319 0.266952 0.266952 F\n0.073681 0.733047 0.733048 F\n","nsites":8,"nelements":3,"elements":["Ba","Ni","F"],"chemical_system":"Ba-F-Ni","density":4.671186060199112,"density_atomic":0.07259240836299223,"volume":110.20436131553416,"volume_molar":8.295827202600568,"formula_full":"Ba1 Ni1 F6","formula_reduced":"BaNiF6","formula_anonymous":"ABC6","energy_above_hull":0.0,"spacegroup":166},{"id":"jvasp-69309","created_at":"2022-09-04T14:35:43.540361Z","updated_at":"2022-09-04T14:35:43.540388Z","structure_string":"Ba1 Ni1 Cl2\n1.0\n3.795151 -0.000000 0.000000\n0.000000 3.795151 -0.000000\n-0.000000 -0.000000 6.661839\nBa Ni Cl\n1 1 2\ndirect\n0.500000 0.500000 0.773196 Ba\n0.000000 0.000000 0.375444 Ni\n0.000000 0.000000 0.007773 Cl\n0.500000 0.500000 0.343587 Cl\n","nsites":4,"nelements":3,"elements":["Ba","Ni","Cl"],"chemical_system":"Ba-Cl-Ni","density":4.619429822666555,"density_atomic":0.04168768114754245,"volume":95.9516070429311,"volume_molar":14.44585209401846,"formula_full":"Ba1 Ni1 Cl2","formula_reduced":"BaNiCl2","formula_anonymous":"ABC2","energy_above_hull":0.0023716262499999,"spacegroup":99},{"id":"jvasp-22871","created_at":"2022-09-04T14:37:33.198445Z","updated_at":"2022-09-04T14:37:33.198472Z","structure_string":"Ba1 Ni12 B6\n1.0\n5.942841 -0.002139 -1.548738\n-2.003567 5.594916 -1.548738\n-0.001507 -0.002139 6.141331\nBa Ni B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.466559 0.466560 0.187963 Ni\n0.867682 0.132317 0.499999 Ni\n0.499999 0.867683 0.132317 Ni\n0.132316 0.500000 0.867682 Ni\n0.533439 0.533440 0.812036 Ni\n0.533440 0.812037 0.533440 Ni\n0.812036 0.533440 0.533440 Ni\n0.132317 0.867683 0.500000 Ni\n0.187963 0.466560 0.466559 Ni\n0.466559 0.187964 0.466559 Ni\n0.499999 0.132317 0.867682 Ni\n0.867682 0.500000 0.132317 Ni\n0.354001 0.769510 0.769509 B\n0.769509 0.354002 0.769509 B\n0.230490 0.645999 0.230490 B\n0.230489 0.230490 0.645998 B\n0.645998 0.230490 0.230489 B\n0.769509 0.769510 0.354001 B\n","nsites":19,"nelements":3,"elements":["Ba","Ni","B"],"chemical_system":"B-Ba-Ni","density":7.374169254600378,"density_atomic":0.09307717321431531,"volume":204.13168281605903,"volume_molar":6.47005119733674,"formula_full":"Ba1 Ni12 B6","formula_reduced":"Ba(Ni2B)6","formula_anonymous":"AB6C12","energy_above_hull":2.5762589615789477,"spacegroup":166},{"id":"jvasp-90472","created_at":"2022-09-04T14:35:58.613806Z","updated_at":"2022-09-04T14:35:58.613834Z","structure_string":"Ba1 Nd2 Ni1 O5\n1.0\n3.669151 0.000005 -1.073507\n-0.759230 5.315592 -2.595107\n0.021637 0.017209 6.881394\nBa Nd Ni O\n1 2 1 5\ndirect\n0.500001 0.500000 0.000001 Ba\n0.298569 0.798566 0.597135 Nd\n0.701434 0.201433 0.402864 Nd\n0.000000 0.000000 0.000001 Ni\n0.500000 0.000001 0.000001 O\n0.144443 0.901821 0.288879 O\n0.855558 0.098179 0.711120 O\n0.855557 0.612940 0.711117 O\n0.144444 0.387061 0.288883 O\n","nsites":9,"nelements":4,"elements":["Ba","Nd","Ni","O"],"chemical_system":"Ba-Nd-Ni-O","density":6.968612841093841,"density_atomic":0.06690748809650755,"volume":134.5140918609644,"volume_molar":9.000697726558867,"formula_full":"Ba1 Nd2 Ni1 O5","formula_reduced":"BaNd2NiO5","formula_anonymous":"ABC2D5","energy_above_hull":1.8078020966666668,"spacegroup":71},{"id":"jvasp-7877","created_at":"2022-09-04T14:37:07.651024Z","updated_at":"2022-09-04T14:37:07.651045Z","structure_string":"Ba1 Nd2 Co1 O5\n1.0\n3.614492 0.000004 -1.041299\n-0.746728 5.343952 -2.591972\n0.046153 0.026454 6.953920\nBa Nd Co O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.797174 0.297177 0.594356 Nd\n0.202824 0.702820 0.405643 Nd\n0.500000 0.499999 -0.000000 Co\n0.354531 0.599000 0.709079 O\n0.645466 0.400997 0.290919 O\n0.645467 0.889916 0.290918 O\n0.354532 0.110081 0.709080 O\n-0.000000 0.500000 0.000000 O\n","nsites":9,"nelements":4,"elements":["Ba","Nd","Co","O"],"chemical_system":"Ba-Co-Nd-O","density":6.954470546993224,"density_atomic":0.06674335224255502,"volume":134.84489012917263,"volume_molar":9.022832323606803,"formula_full":"Ba1 Nd2 Co1 O5","formula_reduced":"BaNd2CoO5","formula_anonymous":"ABC2D5","energy_above_hull":2.0995808188888887,"spacegroup":71},{"id":"jvasp-50303","created_at":"2022-09-04T14:37:12.960133Z","updated_at":"2022-09-04T14:37:12.960159Z","structure_string":"Ba1 Nd1 O3\n1.0\n4.551037 0.000000 -0.000000\n-0.000000 4.551037 0.000000\n0.000000 -0.000000 4.551037\nBa Nd O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ba","Nd","O"],"chemical_system":"Ba-Nd-O","density":5.805798792129123,"density_atomic":0.053044322315027335,"volume":94.26079515740201,"volume_molar":11.353035531748027,"formula_full":"Ba1 Nd1 O3","formula_reduced":"BaNdO3","formula_anonymous":"ABC3","energy_above_hull":1.2870815940000002,"spacegroup":221},{"id":"jvasp-12644","created_at":"2022-09-04T14:37:19.374648Z","updated_at":"2022-09-04T14:37:19.374679Z","structure_string":"Ba1 Nd1 Mn2 O6\n1.0\n3.905296 0.000000 -0.000000\n0.000000 3.905296 0.000000\n0.000000 0.000000 7.802721\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.753786 Mn\n0.500000 0.500000 0.246214 Mn\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.773369 O\n0.500000 0.000000 0.773369 O\n0.000000 0.500000 0.226631 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.226631 O\n","nsites":10,"nelements":4,"elements":["Ba","Nd","Mn","O"],"chemical_system":"Ba-Mn-Nd-O","density":6.80170197239688,"density_atomic":0.08403225318283603,"volume":119.00192629896715,"volume_molar":7.16646350883526,"formula_full":"Ba1 Nd1 Mn2 O6","formula_reduced":"BaNdMn2O6","formula_anonymous":"ABC2D6","energy_above_hull":2.650387295275862,"spacegroup":123},{"id":"jvasp-100459","created_at":"2022-09-04T14:37:09.276553Z","updated_at":"2022-09-04T14:37:09.276858Z","structure_string":"Ba1 Nd1 Mn2 O6\n1.0\n3.905367 0.000000 -0.000000\n0.000000 3.905367 -0.000000\n0.000000 -0.000000 7.802637\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.499999 Ba\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.753789 Mn\n0.500001 0.500001 0.246211 Mn\n0.500001 0.500001 0.000000 O\n0.000000 0.500001 0.773372 O\n0.500001 0.000000 0.773372 O\n0.000000 0.500001 0.226628 O\n0.500001 0.500001 0.499999 O\n0.500001 0.000000 0.226628 O\n","nsites":10,"nelements":4,"elements":["Ba","Nd","Mn","O"],"chemical_system":"Ba-Mn-Nd-O","density":6.801527884950886,"density_atomic":0.084030102403458,"volume":119.00497219420836,"volume_molar":7.166646936934089,"formula_full":"Ba1 Nd1 Mn2 O6","formula_reduced":"BaNdMn2O6","formula_anonymous":"ABC2D6","energy_above_hull":2.650383295275862,"spacegroup":123},{"id":"jvasp-57204","created_at":"2022-09-04T14:38:27.557508Z","updated_at":"2022-09-04T14:38:27.557532Z","structure_string":"Ba1 Nd1 Mn2 O5\n1.0\n3.970078 0.000000 -0.000000\n0.000000 3.970078 0.000000\n0.000000 0.000000 7.672671\nBa Nd Mn O\n1 1 2 5\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.764301 Mn\n0.500000 0.500000 0.235699 Mn\n0.000000 0.500000 0.199373 O\n0.500000 0.000000 0.800627 O\n0.500000 0.000000 0.199373 O\n0.000000 0.500000 0.800627 O\n0.500000 0.500000 0.500000 O\n","nsites":9,"nelements":4,"elements":["Ba","Nd","Mn","O"],"chemical_system":"Ba-Mn-Nd-O","density":6.4734052507994875,"density_atomic":0.07442140320411064,"volume":120.93295224918425,"volume_molar":8.09194734407718,"formula_full":"Ba1 Nd1 Mn2 O5","formula_reduced":"BaNdMn2O5","formula_anonymous":"ABC2D5","energy_above_hull":2.59593771697318,"spacegroup":123},{"id":"jvasp-109786","created_at":"2022-09-04T14:38:18.253345Z","updated_at":"2022-09-04T14:38:18.253359Z","structure_string":"Ba1 Nd1 Mn1 Co1 O5\n1.0\n3.900436 -0.000000 0.000000\n0.000000 3.900436 0.000000\n-0.000000 -0.000000 7.712247\nBa Nd Mn Co O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.986652 Ba\n0.000000 0.000000 0.505047 Nd\n0.500001 0.500001 0.263879 Mn\n0.500001 0.500001 0.706767 Co\n0.500001 0.000000 0.702807 O\n-0.000000 0.500001 0.702807 O\n0.500001 0.000000 0.303432 O\n-0.000000 0.500001 0.303432 O\n0.500001 0.500001 0.025178 O\n","nsites":9,"nelements":5,"elements":["Ba","Nd","Mn","Co","O"],"chemical_system":"Ba-Co-Mn-Nd-O","density":6.728760195720384,"density_atomic":0.07670704749090546,"volume":117.3295061456649,"volume_molar":7.850831125671991,"formula_full":"Ba1 Nd1 Mn1 Co1 O5","formula_reduced":"BaNdMnCoO5","formula_anonymous":"ABCDE5","energy_above_hull":2.487811456819923,"spacegroup":99}]}