{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-updated_at&page=35","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-updated_at&page=33","results":[{"id":"oqmd-1724926","created_at":"2022-09-04T16:03:16.731356Z","updated_at":"2022-09-04T16:03:16.731384Z","structure_string":"Cu2 Ru2 O6\n1.0\n2.567268 1.482213 4.459154\n-2.567268 1.482213 4.459154\n0.000000 -2.964426 4.459154\nCu O Ru\n2 6 2\ndirect\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n0.750000 0.382019 0.117981 O\n0.617981 0.882019 0.250000 O\n0.117981 0.750000 0.382019 O\n0.882019 0.250000 0.617981 O\n0.382019 0.117981 0.750000 O\n0.250000 0.617981 0.882019 O\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n","nsites":10,"nelements":3,"elements":["Cu","O","Ru"],"chemical_system":"Cu-O-Ru","density":6.935628341262784,"density_atomic":0.09822328457968399,"volume":101.8088536011791,"volume_molar":6.131072470005334,"formula_full":"Cu2 Ru2 O6","formula_reduced":"CuRuO3","formula_anonymous":"ABC3","formation_energy":-0.9947399818646516,"spacegroup":167},{"id":"oqmd-1721887","created_at":"2022-09-04T16:03:16.730019Z","updated_at":"2022-09-04T16:03:16.730046Z","structure_string":"Mg1 Hg2 S1 O6\n1.0\n0.000000 3.727240 3.727240\n3.727240 0.000000 3.727240\n3.727240 3.727240 0.000000\nHg Mg O S\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.000000 0.000000 0.000000 Mg\n0.274447 0.725553 0.274447 O\n0.725553 0.274447 0.274447 O\n0.725553 0.725553 0.274447 O\n0.274447 0.274447 0.725553 O\n0.725553 0.274447 0.725553 O\n0.274447 0.725553 0.725553 O\n0.500000 0.500000 0.500000 S\n","nsites":10,"nelements":4,"elements":["Hg","Mg","O","S"],"chemical_system":"Hg-Mg-O-S","density":8.875872555806035,"density_atomic":0.09656237294173838,"volume":103.56000681583886,"volume_molar":6.23652938151541,"formula_full":"Mg1 Hg2 S1 O6","formula_reduced":"MgHg2SO6","formula_anonymous":"ABC2D6","formation_energy":-1.0095135888385087,"spacegroup":225},{"id":"oqmd-1721916","created_at":"2022-09-04T16:03:16.727984Z","updated_at":"2022-09-04T16:03:16.728010Z","structure_string":"Ti1 Pb2 S1 O6\n1.0\n0.000000 3.913822 3.913822\n3.913822 0.000000 3.913822\n3.913822 3.913822 0.000000\nO Pb S Ti\n6 2 1 1\ndirect\n0.752377 0.247623 0.247623 O\n0.247623 0.752377 0.247623 O\n0.752377 0.752377 0.247623 O\n0.247623 0.247623 0.752377 O\n0.752377 0.247623 0.752377 O\n0.247623 0.752377 0.752377 O\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Ti\n","nsites":10,"nelements":4,"elements":["O","Pb","S","Ti"],"chemical_system":"O-Pb-S-Ti","density":8.175410501098328,"density_atomic":0.08340014274327698,"volume":119.90387151712778,"volume_molar":7.220779919450982,"formula_full":"Ti1 Pb2 S1 O6","formula_reduced":"TiPb2SO6","formula_anonymous":"ABC2D6","formation_energy":-1.5890448723072148,"spacegroup":225},{"id":"oqmd-1755148","created_at":"2022-09-04T16:03:16.727892Z","updated_at":"2022-09-04T16:03:16.727912Z","structure_string":"Fe2 Pd2 O6\n1.0\n2.580982 1.490131 4.677690\n-2.580982 1.490131 4.677690\n0.000000 -2.980262 4.677690\nFe O Pd\n2 6 2\ndirect\n0.358192 0.358192 0.358192 Fe\n0.641808 0.641808 0.641808 Fe\n0.443663 0.743113 0.054079 O\n0.945921 0.556337 0.256887 O\n0.743113 0.054079 0.443663 O\n0.256887 0.945921 0.556337 O\n0.054079 0.443663 0.743113 O\n0.556337 0.256887 0.945921 O\n0.154799 0.154799 0.154799 Pd\n0.845201 0.845201 0.845201 Pd\n","nsites":10,"nelements":3,"elements":["Fe","O","Pd"],"chemical_system":"Fe-O-Pd","density":6.469195118105283,"density_atomic":0.0926419925564674,"volume":107.9424106072068,"volume_molar":6.500443906503163,"formula_full":"Fe2 Pd2 O6","formula_reduced":"FePdO3","formula_anonymous":"ABC3","formation_energy":-1.057946981210101,"spacegroup":148},{"id":"oqmd-1723527","created_at":"2022-09-04T16:03:16.719908Z","updated_at":"2022-09-04T16:03:16.719938Z","structure_string":"Co2 Mo1 F8\n1.0\n-2.371156 2.371156 5.165578\n2.371156 -2.371156 5.165578\n2.371156 2.371156 -5.165578\nCo F Mo\n2 8 1\ndirect\n0.320746 0.320746 0.000000 Co\n0.679254 0.679254 0.000000 Co\n0.008664 0.385632 0.062632 F\n0.711494 0.252366 0.097090 F\n0.053968 0.991336 0.376968 F\n0.747634 0.844724 0.459128 F\n0.385596 0.288506 0.540872 F\n0.614368 0.677000 0.623032 F\n0.155276 0.614404 0.902910 F\n0.323000 0.946032 0.937368 F\n0.000000 0.000000 0.000000 Mo\n","nsites":11,"nelements":3,"elements":["Co","F","Mo"],"chemical_system":"Co-F-Mo","density":5.228607586285348,"density_atomic":0.09468768858885776,"volume":116.17138578345664,"volume_molar":6.360003977020354,"formula_full":"Co2 Mo1 F8","formula_reduced":"Co2MoF8","formula_anonymous":"AB2C8","formation_energy":-2.160446563913532,"spacegroup":82},{"id":"oqmd-1737930","created_at":"2022-09-04T16:03:16.710836Z","updated_at":"2022-09-04T16:03:16.710869Z","structure_string":"Ge2 Mo2 O8\n1.0\n-2.405013 2.405013 5.083153\n2.405013 -2.405013 5.083153\n2.405013 2.405013 -5.083153\nGe Mo O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n0.500000 0.500000 0.000000 Mo\n0.250000 0.750000 0.500000 Mo\n0.463523 0.896467 0.047240 O\n0.166284 0.713523 0.067057 O\n0.583716 0.536477 0.432943 O\n0.286477 0.353533 0.452760 O\n0.900773 0.833716 0.547240 O\n0.103533 0.150773 0.567057 O\n0.646467 0.099227 0.932943 O\n0.849227 0.416284 0.952760 O\n","nsites":12,"nelements":3,"elements":["Ge","Mo","O"],"chemical_system":"Ge-Mo-O","density":6.5677853113268805,"density_atomic":0.10203595094266843,"volume":117.60560752496455,"volume_molar":5.901979355672098,"formula_full":"Ge2 Mo2 O8","formula_reduced":"GeMoO4","formula_anonymous":"ABC4","formation_energy":-1.762485429752503,"spacegroup":88},{"id":"oqmd-1714921","created_at":"2022-09-04T16:03:16.704820Z","updated_at":"2022-09-04T16:03:16.704847Z","structure_string":"Ni1 Pb2 S1 O6\n1.0\n2.703246 1.560720 4.385826\n-2.703246 1.560720 4.385826\n0.000000 -3.121440 4.385826\nNi O Pb S\n1 6 2 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.721878 0.294036 0.259222 O\n0.705964 0.740778 0.278122 O\n0.259222 0.721878 0.294036 O\n0.740778 0.278122 0.705964 O\n0.294036 0.259222 0.721878 O\n0.278122 0.705964 0.740778 O\n0.250459 0.250459 0.250459 Pb\n0.749541 0.749541 0.749541 Pb\n0.500000 0.500000 0.500000 S\n","nsites":10,"nelements":4,"elements":["Ni","O","Pb","S"],"chemical_system":"Ni-O-Pb-S","density":8.991294104979863,"density_atomic":0.0900713738515586,"volume":111.02306506926851,"volume_molar":6.685965254537741,"formula_full":"Ni1 Pb2 S1 O6","formula_reduced":"NiPb2SO6","formula_anonymous":"ABC2D6","formation_energy":-1.1140552595723563,"spacegroup":148},{"id":"oqmd-1719808","created_at":"2022-09-04T16:03:16.703918Z","updated_at":"2022-09-04T16:03:16.703937Z","structure_string":"Mg2 Pb2 O6\n1.0\n2.786314 1.608679 4.736460\n-2.786314 1.608679 4.736460\n0.000000 -3.217358 4.736460\nMg O Pb\n2 6 2\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.750000 0.402317 0.097683 O\n0.597683 0.902317 0.250000 O\n0.097683 0.750000 0.402317 O\n0.902317 0.250000 0.597683 O\n0.402317 0.097683 0.750000 O\n0.250000 0.597683 0.902317 O\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n","nsites":10,"nelements":3,"elements":["Mg","O","Pb"],"chemical_system":"Mg-O-Pb","density":7.287210311742148,"density_atomic":0.07850465801500711,"volume":127.3809765286587,"volume_molar":7.67106170801839,"formula_full":"Mg2 Pb2 O6","formula_reduced":"MgPbO3","formula_anonymous":"ABC3","formation_energy":-1.7317568493605868,"spacegroup":167},{"id":"oqmd-1719836","created_at":"2022-09-04T16:03:16.701186Z","updated_at":"2022-09-04T16:03:16.701207Z","structure_string":"Zr2 Pd2 O6\n1.0\n2.787258 1.609224 4.734307\n-2.787258 1.609224 4.734307\n0.000000 -3.218448 4.734307\nO Pd Zr\n6 2 2\ndirect\n0.750000 0.373793 0.126207 O\n0.626207 0.873793 0.250000 O\n0.126207 0.750000 0.373793 O\n0.873793 0.250000 0.626207 O\n0.373793 0.126207 0.750000 O\n0.250000 0.626207 0.873793 O\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n","nsites":10,"nelements":3,"elements":["O","Pd","Zr"],"chemical_system":"O-Pd-Zr","density":6.402959173773578,"density_atomic":0.07848716840657496,"volume":127.40936133914965,"volume_molar":7.672771081260613,"formula_full":"Zr2 Pd2 O6","formula_reduced":"ZrPdO3","formula_anonymous":"ABC3","formation_energy":-1.9990901345272527,"spacegroup":167},{"id":"oqmd-1713505","created_at":"2022-09-04T16:03:16.696301Z","updated_at":"2022-09-04T16:03:16.696330Z","structure_string":"Zn2 Se2 O6\n1.0\n2.616494 1.510634 4.892170\n-2.616494 1.510634 4.892170\n0.000000 -3.021267 4.892170\nO Se Zn\n6 2 2\ndirect\n0.750000 0.397389 0.102611 O\n0.602611 0.897389 0.250000 O\n0.102611 0.750000 0.397389 O\n0.897389 0.250000 0.602611 O\n0.397389 0.102611 0.750000 O\n0.250000 0.602611 0.897389 O\n0.250000 0.250000 0.250000 Se\n0.750000 0.750000 0.750000 Se\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n","nsites":10,"nelements":3,"elements":["O","Se","Zn"],"chemical_system":"O-Se-Zn","density":5.506535250985226,"density_atomic":0.08619226768595357,"volume":116.01968794272322,"volume_molar":6.98686891722354,"formula_full":"Zn2 Se2 O6","formula_reduced":"ZnSeO3","formula_anonymous":"ABC3","formation_energy":-0.8080426915272525,"spacegroup":167},{"id":"oqmd-1755702","created_at":"2022-09-04T16:03:16.696119Z","updated_at":"2022-09-04T16:03:16.696149Z","structure_string":"V4 Sn2 Sb4\n1.0\n4.423471 0.000000 0.000000\n0.000000 4.423471 0.000000\n0.000000 0.000000 11.986572\nSb Sn V\n4 2 4\ndirect\n0.500000 0.000000 0.133405 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.866595 Sb\n0.000000 0.500000 0.211437 Sn\n0.500000 0.000000 0.788563 Sn\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.000000 0.360563 V\n0.000000 0.500000 0.639437 V\n","nsites":10,"nelements":3,"elements":["Sb","Sn","V"],"chemical_system":"Sb-Sn-V","density":6.571756437792417,"density_atomic":0.04263621394196969,"volume":234.5424012931957,"volume_molar":14.124473547760305,"formula_full":"V4 Sn2 Sb4","formula_reduced":"V2SnSb2","formula_anonymous":"AB2C2","formation_energy":0.2722307696297598,"spacegroup":129},{"id":"oqmd-1719827","created_at":"2022-09-04T16:03:16.685787Z","updated_at":"2022-09-04T16:03:16.685808Z","structure_string":"Tb2 Cd2 O6\n1.0\n2.949146 1.702691 4.922404\n-2.949146 1.702691 4.922404\n0.000000 -3.405381 4.922404\nCd O Tb\n2 6 2\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.750000 0.386642 0.113358 O\n0.613358 0.886642 0.250000 O\n0.113358 0.750000 0.386642 O\n0.886642 0.250000 0.613358 O\n0.386642 0.113358 0.750000 O\n0.250000 0.613358 0.886642 O\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n","nsites":10,"nelements":3,"elements":["Cd","O","Tb"],"chemical_system":"Cd-O-Tb","density":7.150961965644803,"density_atomic":0.06742787390434471,"volume":148.30661892419022,"volume_molar":8.931233348011533,"formula_full":"Tb2 Cd2 O6","formula_reduced":"TbCdO3","formula_anonymous":"ABC3","formation_energy":-2.0207169534605867,"spacegroup":167}]}