{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=445","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=elements&page=443","results":[{"id":"jvasp-78453","created_at":"2022-09-04T14:36:31.791304Z","updated_at":"2022-09-04T14:36:31.791323Z","structure_string":"Ir1 C1\n1.0\n-2.208957 -2.208956 0.000000\n-2.208956 -0.000000 -2.208956\n-0.000000 -2.208956 -2.208956\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n","nsites":2,"nelements":2,"elements":["Ir","C"],"chemical_system":"C-Ir","density":15.731584016286526,"density_atomic":0.09277665405484462,"volume":21.557147327362188,"volume_molar":6.4910087794716445,"formula_full":"Ir1 C1","formula_reduced":"IrC","formula_anonymous":"AB","energy_above_hull":4.24964055,"spacegroup":225},{"id":"jvasp-93815","created_at":"2022-09-04T14:36:34.878223Z","updated_at":"2022-09-04T14:36:34.878244Z","structure_string":"Ir2 C4\n1.0\n-2.287089 -2.287089 2.634329\n-2.287089 2.287089 -2.634329\n2.287089 -2.287089 -2.634329\nIr C\n2 4\ndirect\n0.000000 0.750000 0.750000 Ir\n0.000000 0.250000 0.250000 Ir\n0.276724 0.888363 0.388363 C\n0.723276 0.111638 0.611638 C\n0.500000 0.611638 0.888363 C\n0.500000 0.388363 0.111638 C\n","nsites":6,"nelements":2,"elements":["Ir","C"],"chemical_system":"C-Ir","density":13.029140820102718,"density_atomic":0.10885668784217185,"volume":55.11834062689125,"volume_molar":5.532173428546096,"formula_full":"Ir2 C4","formula_reduced":"IrC2","formula_anonymous":"AB2","energy_above_hull":5.3996837,"spacegroup":140},{"id":"jvasp-42077","created_at":"2022-09-04T14:37:35.723025Z","updated_at":"2022-09-04T14:37:35.723058Z","structure_string":"Ir2 Cl4\n1.0\n5.632084 0.000000 0.000000\n0.000000 5.632084 0.000000\n0.000000 0.000000 3.796308\nIr Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.304013 0.304013 0.000000 Cl\n0.695987 0.695987 0.000000 Cl\n0.195987 0.804012 0.500000 Cl\n0.804012 0.195987 0.500000 Cl\n","nsites":6,"nelements":2,"elements":["Ir","Cl"],"chemical_system":"Cl-Ir","density":7.256684107914589,"density_atomic":0.049825488266497485,"volume":120.42029508889695,"volume_molar":12.086466123101236,"formula_full":"Ir2 Cl4","formula_reduced":"IrCl2","formula_anonymous":"AB2","energy_above_hull":1.4222497449999998,"spacegroup":136},{"id":"jvasp-39875","created_at":"2022-09-04T14:37:49.419001Z","updated_at":"2022-09-04T14:37:49.419010Z","structure_string":"Ir2 Cl6\n1.0\n4.202246 -7.278504 -0.000000\n4.202246 7.278504 -0.000000\n0.000000 0.000000 3.404334\nIr Cl\n2 6\ndirect\n0.333334 0.666667 0.250000 Ir\n0.666667 0.333334 0.749999 Ir\n0.215349 0.784651 0.749999 Cl\n0.569305 0.784652 0.749999 Cl\n0.215349 0.430696 0.749999 Cl\n0.784651 0.215349 0.250000 Cl\n0.430696 0.215349 0.250000 Cl\n0.784652 0.569305 0.250000 Cl\n","nsites":8,"nelements":2,"elements":["Ir","Cl"],"chemical_system":"Cl-Ir","density":4.761548729936576,"density_atomic":0.038415300221299305,"volume":208.2503573814168,"volume_molar":15.676412068389961,"formula_full":"Ir2 Cl6","formula_reduced":"IrCl3","formula_anonymous":"AB3","energy_above_hull":1.228813325625,"spacegroup":194},{"id":"jvasp-3831","created_at":"2022-09-04T14:36:15.688729Z","updated_at":"2022-09-04T14:36:15.688749Z","structure_string":"Ir2 Cl6\n1.0\n6.015134 0.003646 -0.990845\n-3.258393 5.056156 -0.990845\n-0.001667 -0.003061 5.951171\nIr Cl\n2 6\ndirect\n0.166573 0.833429 0.000001 Ir\n0.833428 0.166573 0.000001 Ir\n0.922614 0.573222 0.231119 Cl\n0.426778 0.077387 0.768883 Cl\n0.776254 0.776255 0.767080 Cl\n0.223746 0.223746 0.232922 Cl\n0.573222 0.922615 0.231119 Cl\n0.077386 0.426779 0.768883 Cl\n","nsites":8,"nelements":2,"elements":["Ir","Cl"],"chemical_system":"Cl-Ir","density":5.477516122731464,"density_atomic":0.04419159358777356,"volume":181.02990524906872,"volume_molar":13.627344639741935,"formula_full":"Ir2 Cl6","formula_reduced":"IrCl3","formula_anonymous":"AB3","energy_above_hull":1.100513325625,"spacegroup":12},{"id":"jvasp-21948","created_at":"2022-09-04T14:37:30.715452Z","updated_at":"2022-09-04T14:37:30.715470Z","structure_string":"Ir2 F8\n1.0\n5.261353 -0.051685 -1.418787\n-3.007603 4.317272 -1.418787\n0.028181 0.053337 5.622496\nIr F\n2 8\ndirect\n0.745518 0.245519 0.500000 Ir\n0.995519 0.995519 -0.000001 Ir\n0.972103 0.727297 0.165720 F\n0.561576 0.806383 0.834280 F\n0.042530 0.296712 0.328439 F\n0.968274 0.714093 0.671561 F\n0.046712 0.292530 0.828439 F\n0.464091 0.218274 0.171561 F\n0.556382 0.811576 0.334279 F\n0.477297 0.222103 0.665721 F\n","nsites":10,"nelements":2,"elements":["Ir","F"],"chemical_system":"F-Ir","density":6.978616347760743,"density_atomic":0.0783455388510556,"volume":127.63968627506944,"volume_molar":7.6866415731070825,"formula_full":"Ir2 F8","formula_reduced":"IrF4","formula_anonymous":"AB4","energy_above_hull":0.5723964460000002,"spacegroup":43},{"id":"jvasp-31872","created_at":"2022-09-04T14:38:02.984719Z","updated_at":"2022-09-04T14:38:02.984746Z","structure_string":"Ir4 F24\n1.0\n4.940801 -0.000000 0.000000\n-0.000000 8.527015 0.000000\n0.000000 0.000000 9.315857\nIr F\n4 24\ndirect\n0.589064 0.250000 0.126754 Ir\n0.910936 0.250000 0.626754 Ir\n0.410936 0.750000 0.873246 Ir\n0.089064 0.750000 0.373246 Ir\n0.931110 0.594504 0.257971 F\n0.068889 0.094504 0.742030 F\n0.103121 0.750000 0.754802 F\n0.896879 0.250000 0.245199 F\n0.568889 0.594504 0.757971 F\n0.603121 0.250000 0.745199 F\n0.068889 0.405497 0.742030 F\n0.431110 0.094504 0.242030 F\n0.251956 0.594416 0.988306 F\n0.717490 0.750000 0.992273 F\n0.782509 0.750000 0.492273 F\n0.431110 0.405497 0.242030 F\n0.396879 0.750000 0.254801 F\n0.751955 0.405585 0.511694 F\n0.248044 0.905585 0.488306 F\n0.282510 0.250000 0.007727 F\n0.568889 0.905497 0.757971 F\n0.748044 0.094416 0.011694 F\n0.217490 0.250000 0.507727 F\n0.931110 0.905497 0.257971 F\n0.251956 0.905585 0.988306 F\n0.248044 0.594416 0.488306 F\n0.748044 0.405585 0.011694 F\n0.751955 0.094416 0.511694 F\n","nsites":28,"nelements":2,"elements":["Ir","F"],"chemical_system":"F-Ir","density":5.182121549086677,"density_atomic":0.07134126876299311,"volume":392.4797033400176,"volume_molar":8.441314353416528,"formula_full":"Ir4 F24","formula_reduced":"IrF6","formula_anonymous":"AB6","energy_above_hull":0.3987703992857141,"spacegroup":62},{"id":"jvasp-8001","created_at":"2022-09-04T14:36:43.061826Z","updated_at":"2022-09-04T14:36:43.061838Z","structure_string":"Ir2 F6\n1.0\n4.406328 -0.004793 3.160646\n1.619949 4.097745 3.160646\n-0.007057 -0.004793 5.422671\nIr F\n2 6\ndirect\n0.499999 0.500001 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.425350 0.750001 0.074650 F\n0.750000 0.074651 0.425351 F\n0.925350 0.574651 0.250000 F\n0.249999 0.925352 0.574650 F\n0.574649 0.250001 0.925351 F\n0.074649 0.425352 0.750000 F\n","nsites":8,"nelements":2,"elements":["Ir","F"],"chemical_system":"F-Ir","density":8.437897341593683,"density_atomic":0.08155973675387254,"volume":98.08761428622624,"volume_molar":7.383717750553017,"formula_full":"Ir2 F6","formula_reduced":"IrF3","formula_anonymous":"AB3","energy_above_hull":0.693315486875,"spacegroup":167},{"id":"jvasp-28443","created_at":"2022-09-04T14:37:01.189279Z","updated_at":"2022-09-04T14:37:01.189297Z","structure_string":"Ir2 I6\n1.0\n6.548853 -0.000000 -2.105545\n3.274426 -5.959717 -1.052772\n0.031539 -0.000000 -6.851942\nIr I\n2 6\ndirect\n0.166607 0.666786 -0.000000 Ir\n0.833393 0.333214 0.000001 Ir\n0.571008 0.351385 0.769032 I\n0.428992 0.648615 0.230968 I\n0.077608 0.351385 0.230967 I\n0.922393 0.648615 0.769033 I\n0.219889 -0.000000 0.766717 I\n0.780110 -0.000000 0.233284 I\n","nsites":8,"nelements":2,"elements":["Ir","I"],"chemical_system":"I-Ir","density":7.125569820393098,"density_atomic":0.029959090122965784,"volume":267.03080658205397,"volume_molar":20.101213806168293,"formula_full":"Ir2 I6","formula_reduced":"IrI3","formula_anonymous":"AB3","energy_above_hull":0.8806124812499998,"spacegroup":12},{"id":"jvasp-36281","created_at":"2022-09-04T14:38:19.672133Z","updated_at":"2022-09-04T14:38:19.672162Z","structure_string":"Ir1 N1\n1.0\n2.207041 2.207041 -0.000000\n2.207041 0.000000 -2.207041\n0.000000 2.207041 -2.207041\nIr N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n","nsites":2,"nelements":2,"elements":["Ir","N"],"chemical_system":"Ir-N","density":15.926724697846634,"density_atomic":0.09301838538378117,"volume":21.501125737113934,"volume_molar":6.474140284367943,"formula_full":"Ir1 N1","formula_reduced":"IrN","formula_anonymous":"AB","energy_above_hull":3.929747175,"spacegroup":225},{"id":"jvasp-36298","created_at":"2022-09-04T14:38:20.192593Z","updated_at":"2022-09-04T14:38:20.192617Z","structure_string":"Ir1 N2\n1.0\n1.543516 -2.673449 0.000000\n1.543516 2.673449 0.000000\n-0.000000 -0.000000 3.777693\nIr N\n1 2\ndirect\n0.666668 0.333334 0.500000 Ir\n0.000000 0.000000 0.832555 N\n0.000000 0.000000 0.167444 N\n","nsites":3,"nelements":2,"elements":["Ir","N"],"chemical_system":"Ir-N","density":11.729693622245088,"density_atomic":0.09622359050691248,"volume":31.177385755362007,"volume_molar":6.258486851586964,"formula_full":"Ir1 N2","formula_reduced":"IrN2","formula_anonymous":"AB2","energy_above_hull":4.733802533333333,"spacegroup":187},{"id":"jvasp-9153","created_at":"2022-09-04T14:37:33.743532Z","updated_at":"2022-09-04T14:37:33.743561Z","structure_string":"Ir4 N8\n1.0\n0.000000 4.882553 0.001526\n4.936911 0.000000 0.000000\n0.000000 -1.517086 -4.681582\nIr N\n4 8\ndirect\n0.233395 0.499796 0.720791 Ir\n0.766603 0.999796 0.779207 Ir\n0.766603 0.500204 0.279207 Ir\n0.233395 0.000204 0.220792 Ir\n0.324697 0.913684 0.659060 N\n0.675301 0.413684 0.840939 N\n0.675302 0.086316 0.340939 N\n0.324697 0.586316 0.159060 N\n0.185789 0.402676 0.299408 N\n0.814210 0.902676 0.200591 N\n0.814210 0.597324 0.700591 N\n0.185788 0.097324 0.799408 N\n","nsites":12,"nelements":2,"elements":["Ir","N"],"chemical_system":"Ir-N","density":12.963893218202543,"density_atomic":0.10634824681506899,"volume":112.83683896422882,"volume_molar":5.662661059633655,"formula_full":"Ir4 N8","formula_reduced":"IrN2","formula_anonymous":"AB2","energy_above_hull":4.5202592,"spacegroup":14}]}