{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=formation_energy&page=31","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=formation_energy&page=29","results":[{"id":"oqmd-1036518","created_at":"2022-09-04T15:30:19.623157Z","updated_at":"2022-09-04T15:30:19.623186Z","structure_string":"Lu2 O2 F2\n1.0\n3.791898 -0.000025 0.000000\n-0.000030 5.289430 0.000000\n0.000000 0.000000 3.627252\nF Lu O\n2 2 2\ndirect\n0.250000 0.485110 0.249999 F\n0.750001 0.514891 0.750000 F\n0.749992 0.790066 0.249999 Lu\n0.250008 0.209933 0.750000 Lu\n0.250001 0.980602 0.249999 O\n0.749999 0.019397 0.750000 O\n","nsites":6,"nelements":3,"elements":["F","Lu","O"],"chemical_system":"F-Lu-O","density":9.584784280923085,"density_atomic":0.08247227997387703,"volume":72.75171732733097,"volume_molar":7.302018037948634,"formula_full":"Lu2 O2 F2","formula_reduced":"LuOF","formula_anonymous":"ABC","formation_energy":-4.19217240000329,"spacegroup":59},{"id":"oqmd-1287622","created_at":"2022-09-04T15:42:53.210520Z","updated_at":"2022-09-04T15:42:53.210549Z","structure_string":"Lu2 O2 F2\n1.0\n3.845000 0.000000 0.000000\n0.000000 3.845000 0.000000\n0.000000 0.000000 5.310000\nF Lu O\n2 2 2\ndirect\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.500000 0.222000 Lu\n0.500000 0.000000 0.778000 Lu\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n","nsites":6,"nelements":3,"elements":["F","Lu","O"],"chemical_system":"F-Lu-O","density":8.882564770595993,"density_atomic":0.07643003193141643,"volume":78.50317275,"volume_molar":7.879285940118273,"formula_full":"Lu2 O2 F2","formula_reduced":"LuOF","formula_anonymous":"ABC","formation_energy":-4.19216465500329,"spacegroup":129},{"id":"oqmd-1365964","created_at":"2022-09-04T15:49:26.942508Z","updated_at":"2022-09-04T15:49:26.942535Z","structure_string":"Cs1 Ho2 F7\n1.0\n3.421578 -5.600539 0.000000\n3.421578 5.600539 0.000000\n0.000000 0.000000 4.308066\nCs F Ho\n1 7 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.699957 0.300044 0.000000 F\n0.300044 0.699957 0.000000 F\n0.332058 0.043953 0.499999 F\n0.043953 0.332058 0.499999 F\n0.500000 0.500000 0.499999 F\n0.956047 0.667943 0.499999 F\n0.667943 0.956047 0.499999 F\n0.692549 0.307452 0.499999 Ho\n0.307452 0.692549 0.499999 Ho\n","nsites":10,"nelements":3,"elements":["Cs","F","Ho"],"chemical_system":"Cs-F-Ho","density":5.991673180533462,"density_atomic":0.0605663477169219,"volume":165.10818923304592,"volume_molar":9.943047561901189,"formula_full":"Cs1 Ho2 F7","formula_reduced":"CsHo2F7","formula_anonymous":"AB2C7","formation_energy":-4.19134304905844,"spacegroup":65},{"id":"oqmd-1016700","created_at":"2022-09-04T15:27:44.764092Z","updated_at":"2022-09-04T15:27:44.764117Z","structure_string":"Tm4 O4 F4\n1.0\n7.456480 0.000000 0.000000\n0.000000 3.713306 0.000000\n0.000000 0.000000 5.290042\nF O Tm\n4 4 4\ndirect\n0.606718 0.750000 0.013726 F\n0.106718 0.750000 0.486274 F\n0.893282 0.250001 0.513726 F\n0.393282 0.250001 0.986274 F\n0.860550 0.250001 0.015841 O\n0.360551 0.250001 0.484159 O\n0.639449 0.750000 0.515841 O\n0.139449 0.750000 0.984159 O\n0.127827 0.250001 0.211760 Tm\n0.627827 0.250001 0.288240 Tm\n0.372173 0.750000 0.711760 Tm\n0.872173 0.750000 0.788240 Tm\n","nsites":12,"nelements":3,"elements":["F","O","Tm"],"chemical_system":"F-O-Tm","density":9.247850036991025,"density_atomic":0.0819270900073335,"volume":146.47169817609597,"volume_molar":7.350609864772377,"formula_full":"Tm4 O4 F4","formula_reduced":"TmOF","formula_anonymous":"ABC","formation_energy":-4.18969390000329,"spacegroup":62},{"id":"oqmd-1016702","created_at":"2022-09-04T15:27:45.934396Z","updated_at":"2022-09-04T15:27:45.934409Z","structure_string":"Lu4 O4 F4\n1.0\n7.371320 0.000000 0.000000\n0.000000 3.685474 0.000000\n0.000000 0.000000 5.237459\nF Lu O\n4 4 4\ndirect\n0.605864 0.749998 0.016936 F\n0.105864 0.749998 0.483064 F\n0.894136 0.249998 0.516936 F\n0.394136 0.249998 0.983064 F\n0.128008 0.249998 0.210316 Lu\n0.628008 0.249998 0.289684 Lu\n0.371993 0.749998 0.710316 Lu\n0.871993 0.749998 0.789684 Lu\n0.860216 0.249998 0.017214 O\n0.360216 0.249998 0.482786 O\n0.639784 0.749998 0.517215 O\n0.139784 0.749998 0.982786 O\n","nsites":12,"nelements":3,"elements":["F","Lu","O"],"chemical_system":"F-Lu-O","density":9.801585554871112,"density_atomic":0.08433774661764097,"volume":142.28504413811257,"volume_molar":7.140504698687722,"formula_full":"Lu4 O4 F4","formula_reduced":"LuOF","formula_anonymous":"ABC","formation_energy":-4.18908584416995,"spacegroup":62},{"id":"oqmd-311820","created_at":"2022-09-04T14:50:20.590275Z","updated_at":"2022-09-04T14:50:20.590286Z","structure_string":"Ce1 F3\n1.0\n0.000000 2.863247 2.863247\n2.863247 0.000000 2.863247\n2.863247 2.863247 0.000000\nCe F\n1 3\ndirect\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 F\n0.249999 0.249999 0.249999 F\n0.500001 0.500001 0.500001 F\n","nsites":4,"nelements":2,"elements":["Ce","F"],"chemical_system":"Ce-F","density":6.971945471789222,"density_atomic":0.085202738295547,"volume":46.94684795370073,"volume_molar":7.068013165387594,"formula_full":"Ce1 F3","formula_reduced":"CeF3","formula_anonymous":"AB3","formation_energy":-4.18886605122333,"spacegroup":225},{"id":"oqmd-1744400","created_at":"2022-09-04T16:02:38.795000Z","updated_at":"2022-09-04T16:02:38.795029Z","structure_string":"K1 Lu2 F7\n1.0\n3.319998 -5.265557 0.000000\n3.319998 5.265557 0.000000\n0.000000 0.000000 4.121642\nF K Lu\n7 1 2\ndirect\n0.716614 0.283386 0.000000 F\n0.283386 0.716614 0.000000 F\n0.326474 0.052159 0.500000 F\n0.052159 0.326474 0.500000 F\n0.500000 0.500000 0.500000 F\n0.947841 0.673526 0.500000 F\n0.673526 0.947841 0.500000 F\n0.000000 0.000000 0.000000 K\n0.696059 0.303941 0.500000 Lu\n0.303941 0.696059 0.500000 Lu\n","nsites":10,"nelements":3,"elements":["F","K","Lu"],"chemical_system":"F-K-Lu","density":6.015265080144689,"density_atomic":0.06939330896673025,"volume":144.10611266274063,"volume_molar":8.678272948314426,"formula_full":"K1 Lu2 F7","formula_reduced":"KLu2F7","formula_anonymous":"AB2C7","formation_energy":-4.188239068891773,"spacegroup":65},{"id":"oqmd-1347694","created_at":"2022-09-04T15:46:21.136207Z","updated_at":"2022-09-04T15:46:21.136225Z","structure_string":"Ho4 O4 F4\n1.0\n5.479268 0.000000 0.000000\n0.000000 5.430030 0.000000\n-0.893550 0.000000 5.411569\nF Ho O\n4 4 4\ndirect\n0.940733 0.672946 0.157708 F\n0.059267 0.172946 0.342292 F\n0.940733 0.827054 0.657708 F\n0.059267 0.327054 0.842292 F\n0.304531 0.473387 0.214271 Ho\n0.695469 0.973387 0.285729 Ho\n0.304531 0.026613 0.714271 Ho\n0.695469 0.526613 0.785729 Ho\n0.540947 0.246753 0.010174 O\n0.459053 0.746753 0.489826 O\n0.540947 0.253247 0.510174 O\n0.459053 0.753247 0.989826 O\n","nsites":12,"nelements":3,"elements":["F","Ho","O"],"chemical_system":"F-Ho-O","density":8.247740830828901,"density_atomic":0.07453036940090012,"volume":161.0081916467071,"volume_molar":8.08011661341272,"formula_full":"Ho4 O4 F4","formula_reduced":"HoOF","formula_anonymous":"ABC","formation_energy":-4.18702650194773,"spacegroup":14},{"id":"oqmd-297489","created_at":"2022-09-04T14:49:40.056687Z","updated_at":"2022-09-04T14:49:40.056714Z","structure_string":"Nd1 F3\n1.0\n-1.858386 1.858386 3.211618\n1.858386 -1.858386 3.211618\n1.858386 1.858386 -3.211618\nF Nd\n3 1\ndirect\n0.500000 0.500000 0.000000 F\n0.750001 0.250000 0.500001 F\n0.250000 0.750001 0.500001 F\n0.000000 0.000000 0.000000 Nd\n","nsites":4,"nelements":2,"elements":["F","Nd"],"chemical_system":"F-Nd","density":7.531849948888249,"density_atomic":0.09015799946985263,"volume":44.36655675060242,"volume_molar":6.6795412447163995,"formula_full":"Nd1 F3","formula_reduced":"NdF3","formula_anonymous":"AB3","formation_energy":-4.18624003059833,"spacegroup":139},{"id":"oqmd-1443906","created_at":"2022-09-04T15:50:35.213077Z","updated_at":"2022-09-04T15:50:35.213095Z","structure_string":"Pr1 F3\n1.0\n-2.081187 2.093909 2.613259\n2.081187 -2.093909 2.613259\n2.081187 2.093909 -2.613259\nF Pr\n3 1\ndirect\n0.000000 0.000000 0.000000 F\n0.749535 0.249535 0.500000 F\n0.250465 0.750466 0.500001 F\n0.500000 0.500000 0.000000 Pr\n","nsites":4,"nelements":2,"elements":["F","Pr"],"chemical_system":"F-Pr","density":7.214227156248595,"density_atomic":0.08781094222158929,"volume":45.552409515275144,"volume_molar":6.858075551453758,"formula_full":"Pr1 F3","formula_reduced":"PrF3","formula_anonymous":"AB3","formation_energy":-4.18547941872333,"spacegroup":139},{"id":"oqmd-1287646","created_at":"2022-09-04T15:42:52.588060Z","updated_at":"2022-09-04T15:42:52.588096Z","structure_string":"Er2 O2 F2\n1.0\n3.896000 0.000000 0.000000\n0.000000 3.896000 0.000000\n0.000000 0.000000 5.393000\nEr F O\n2 2 2\ndirect\n0.000000 0.500000 0.222000 Er\n0.500000 0.000000 0.778000 Er\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":3,"elements":["Er","F","O"],"chemical_system":"Er-F-O","density":8.205667500783802,"density_atomic":0.07329644880378659,"volume":81.859354688,"volume_molar":8.216142607565033,"formula_full":"Er2 O2 F2","formula_reduced":"ErOF","formula_anonymous":"ABC","formation_energy":-4.18430683833662,"spacegroup":129},{"id":"oqmd-1287645","created_at":"2022-09-04T15:42:52.779196Z","updated_at":"2022-09-04T15:42:52.779224Z","structure_string":"Er2 O2 F2\n1.0\n3.896000 0.000000 0.000000\n0.000000 3.896000 0.000000\n0.000000 0.000000 5.393000\nEr F O\n2 2 2\ndirect\n0.000000 0.500000 0.222000 Er\n0.500000 0.000000 0.778000 Er\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n","nsites":6,"nelements":3,"elements":["Er","F","O"],"chemical_system":"Er-F-O","density":8.205667500783802,"density_atomic":0.07329644880378659,"volume":81.859354688,"volume_molar":8.216142607565033,"formula_full":"Er2 O2 F2","formula_reduced":"ErOF","formula_anonymous":"ABC","formation_energy":-4.18418689833662,"spacegroup":129}]}