{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=formation_energy&page=5","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=formation_energy&page=3","results":[{"id":"oqmd-1442465","created_at":"2022-09-04T15:50:42.558515Z","updated_at":"2022-09-04T15:50:42.558543Z","structure_string":"La2 F6\n1.0\n4.071114 0.000000 0.000000\n-2.035557 3.525688 0.000000\n0.000000 0.000000 7.169284\nF La\n6 2\ndirect\n0.333334 0.666667 0.080475 F\n0.000000 0.000000 0.250000 F\n0.333334 0.666667 0.419524 F\n0.666668 0.333334 0.580475 F\n0.000000 0.000000 0.750000 F\n0.666668 0.333334 0.919524 F\n0.666668 0.333334 0.250000 La\n0.333334 0.666667 0.750000 La\n","nsites":8,"nelements":2,"elements":["F","La"],"chemical_system":"F-La","density":6.322402052152478,"density_atomic":0.0777422420183024,"volume":102.90415856692951,"volume_molar":7.746291595992617,"formula_full":"La2 F6","formula_reduced":"LaF3","formula_anonymous":"AB3","formation_energy":-4.42507066434833,"spacegroup":194},{"id":"oqmd-1709823","created_at":"2022-09-04T16:00:36.192880Z","updated_at":"2022-09-04T16:00:36.192891Z","structure_string":"Yb4 F8\n1.0\n5.320751 0.000000 0.000000\n0.000000 5.320751 0.000000\n0.000000 0.000000 5.320751\nF Yb\n8 4\ndirect\n0.343429 0.656571 0.156571 F\n0.157118 0.157118 0.157118 F\n0.842882 0.657118 0.342882 F\n0.656571 0.156571 0.343429 F\n0.156571 0.343429 0.656571 F\n0.342882 0.842882 0.657118 F\n0.657118 0.342882 0.842882 F\n0.843429 0.843429 0.843429 F\n0.500237 0.999763 0.000237 Yb\n0.499763 0.499763 0.499763 Yb\n0.999763 0.000237 0.500237 Yb\n0.000237 0.500237 0.999763 Yb\n","nsites":12,"nelements":2,"elements":["F","Yb"],"chemical_system":"F-Yb","density":9.305688031173277,"density_atomic":0.07966406074045722,"volume":150.6325423090795,"volume_molar":7.559419773516101,"formula_full":"Yb4 F8","formula_reduced":"YbF2","formula_anonymous":"AB2","formation_energy":-4.424904802754071,"spacegroup":205},{"id":"oqmd-1473976","created_at":"2022-09-04T15:52:05.380693Z","updated_at":"2022-09-04T15:52:05.380720Z","structure_string":"Er2 F6\n1.0\n5.636094 0.000000 0.000000\n-2.818047 4.881001 0.000000\n0.000000 0.000000 3.492636\nEr F\n2 6\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n0.694205 0.086351 0.250000 F\n0.392146 0.305795 0.250000 F\n0.913649 0.607854 0.250000 F\n0.086351 0.392146 0.750000 F\n0.607854 0.694205 0.750000 F\n0.305795 0.913649 0.750000 F\n","nsites":8,"nelements":2,"elements":["Er","F"],"chemical_system":"Er-F","density":7.751383903716232,"density_atomic":0.08326251721628154,"volume":96.08164955209452,"volume_molar":7.232715225696301,"formula_full":"Er2 F6","formula_reduced":"ErF3","formula_anonymous":"AB3","formation_energy":-4.424605874348329,"spacegroup":176},{"id":"oqmd-1472982","created_at":"2022-09-04T15:52:03.755110Z","updated_at":"2022-09-04T15:52:03.755140Z","structure_string":"Er2 F6\n1.0\n5.632086 0.000000 0.000000\n-2.816043 4.877530 0.000000\n0.000000 0.000000 3.491835\nEr F\n2 6\ndirect\n0.666667 0.333333 0.250000 Er\n0.333333 0.666667 0.750000 Er\n0.305554 0.391973 0.250000 F\n0.086419 0.694446 0.250000 F\n0.608027 0.913581 0.250000 F\n0.391973 0.086419 0.750000 F\n0.913581 0.305554 0.750000 F\n0.694446 0.608027 0.750000 F\n","nsites":8,"nelements":2,"elements":["Er","F"],"chemical_system":"Er-F","density":7.764200761580547,"density_atomic":0.08340019119319224,"volume":95.92304148881881,"volume_molar":7.220775724662336,"formula_full":"Er2 F6","formula_reduced":"ErF3","formula_anonymous":"AB3","formation_energy":-4.423394043098329,"spacegroup":176},{"id":"oqmd-1472718","created_at":"2022-09-04T15:52:02.631039Z","updated_at":"2022-09-04T15:52:02.631060Z","structure_string":"Dy2 F6\n1.0\n5.681295 0.000000 0.000000\n-2.840647 4.920145 0.000000\n0.000000 0.000000 3.540776\nDy F\n2 6\ndirect\n0.333333 0.666667 0.250000 Dy\n0.666667 0.333333 0.750000 Dy\n0.694997 0.086608 0.250000 F\n0.391612 0.305003 0.250000 F\n0.913392 0.608388 0.250000 F\n0.086608 0.391612 0.750000 F\n0.608388 0.694997 0.750000 F\n0.305003 0.913392 0.750000 F\n","nsites":8,"nelements":2,"elements":["Dy","F"],"chemical_system":"Dy-F","density":7.365130463756722,"density_atomic":0.08082882986770168,"volume":98.97458633378922,"volume_molar":7.450486132060638,"formula_full":"Dy2 F6","formula_reduced":"DyF3","formula_anonymous":"AB3","formation_energy":-4.423161686014997,"spacegroup":176},{"id":"oqmd-1473977","created_at":"2022-09-04T15:52:04.100723Z","updated_at":"2022-09-04T15:52:04.100747Z","structure_string":"Ho2 F6\n1.0\n5.659971 0.000000 0.000000\n-2.829985 4.901678 0.000000\n0.000000 0.000000 3.511993\nF Ho\n6 2\ndirect\n0.694541 0.086525 0.250000 F\n0.391985 0.305459 0.250000 F\n0.913475 0.608015 0.250000 F\n0.086525 0.391985 0.750000 F\n0.608015 0.694541 0.750000 F\n0.305459 0.913475 0.750000 F\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n","nsites":8,"nelements":2,"elements":["F","Ho"],"chemical_system":"F-Ho","density":7.5643868711978275,"density_atomic":0.08210646625342868,"volume":97.43446972017173,"volume_molar":7.3345511441354,"formula_full":"Ho2 F6","formula_reduced":"HoF3","formula_anonymous":"AB3","formation_energy":-4.422685753931662,"spacegroup":176},{"id":"oqmd-2571","created_at":"2022-09-04T15:13:16.262194Z","updated_at":"2022-09-04T15:13:16.262213Z","structure_string":"Sm4 F12\n1.0\n6.585448 0.000000 0.000000\n0.000000 6.966149 0.000000\n0.000000 0.000000 4.341189\nF Sm\n12 4\ndirect\n0.982374 0.750000 0.075823 F\n0.666428 0.064380 0.106959 F\n0.666428 0.435619 0.106959 F\n0.166429 0.064380 0.393040 F\n0.166429 0.435619 0.393040 F\n0.482373 0.750000 0.424179 F\n0.517626 0.250000 0.575822 F\n0.833571 0.564381 0.606960 F\n0.833571 0.935619 0.606960 F\n0.333572 0.564381 0.893039 F\n0.333572 0.935619 0.893039 F\n0.017627 0.250000 0.924178 F\n0.368098 0.250000 0.065233 Sm\n0.868097 0.250000 0.434766 Sm\n0.131903 0.750000 0.565235 Sm\n0.631902 0.750000 0.934765 Sm\n","nsites":16,"nelements":2,"elements":["F","Sm"],"chemical_system":"F-Sm","density":6.915717774690867,"density_atomic":0.08034025475483367,"volume":199.1529657059914,"volume_molar":7.495794951580831,"formula_full":"Sm4 F12","formula_reduced":"SmF3","formula_anonymous":"AB3","formation_energy":-4.42196648497333,"spacegroup":62},{"id":"oqmd-1442393","created_at":"2022-09-04T15:50:41.932453Z","updated_at":"2022-09-04T15:50:41.932480Z","structure_string":"Gd2 F6\n1.0\n5.742689 0.000000 0.000000\n-2.871344 4.973314 0.000000\n0.000000 0.000000 3.587381\nF Gd\n6 2\ndirect\n0.694852 0.087290 0.250001 F\n0.392438 0.305149 0.250001 F\n0.912710 0.607563 0.250001 F\n0.087289 0.392439 0.750001 F\n0.607561 0.694851 0.750001 F\n0.305149 0.912711 0.750001 F\n0.333333 0.666666 0.250001 Gd\n0.666666 0.333333 0.750001 Gd\n","nsites":8,"nelements":2,"elements":["F","Gd"],"chemical_system":"F-Gd","density":6.94466869795872,"density_atomic":0.07808206778244073,"volume":102.45630305655223,"volume_molar":7.712578484447197,"formula_full":"Gd2 F6","formula_reduced":"GdF3","formula_anonymous":"AB3","formation_energy":-4.41969032997333,"spacegroup":176},{"id":"oqmd-1473608","created_at":"2022-09-04T15:52:03.144815Z","updated_at":"2022-09-04T15:52:03.144843Z","structure_string":"Gd2 F6\n1.0\n5.737762 0.000000 0.000000\n0.000000 3.591866 0.000000\n-2.868570 0.000000 4.969957\nF Gd\n6 2\ndirect\n0.195258 0.750000 0.107901 F\n0.587357 0.250000 0.195267 F\n0.107898 0.250000 0.412630 F\n0.892102 0.750000 0.587370 F\n0.412643 0.750000 0.804733 F\n0.804742 0.250000 0.892099 F\n0.833339 0.750000 0.166630 Gd\n0.166661 0.250000 0.833370 Gd\n","nsites":8,"nelements":2,"elements":["F","Gd"],"chemical_system":"F-Gd","density":6.94664212829658,"density_atomic":0.07810425595701123,"volume":102.42719685343675,"volume_molar":7.710387463795317,"formula_full":"Gd2 F6","formula_reduced":"GdF3","formula_anonymous":"AB3","formation_energy":-4.41951996372333,"spacegroup":176},{"id":"oqmd-1712517","created_at":"2022-09-04T16:00:23.636537Z","updated_at":"2022-09-04T16:00:23.636563Z","structure_string":"Ho1 F3\n1.0\n2.968977 1.714140 2.486011\n-2.968977 1.714140 2.486011\n0.000000 -3.428279 2.486011\nF Ho\n3 1\ndirect\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 Ho\n","nsites":4,"nelements":2,"elements":["F","Ho"],"chemical_system":"F-Ho","density":4.854550551642766,"density_atomic":0.05269296743159612,"volume":75.91145830214703,"volume_molar":11.42873717981,"formula_full":"Ho1 F3","formula_reduced":"HoF3","formula_anonymous":"AB3","formation_energy":-4.416352417681662,"spacegroup":221},{"id":"oqmd-1343598","created_at":"2022-09-04T15:45:55.760145Z","updated_at":"2022-09-04T15:45:55.760174Z","structure_string":"Gd4 F12\n1.0\n6.248956 0.000000 0.000000\n0.000000 6.731066 0.000000\n0.000000 0.000000 4.293459\nF Gd\n12 4\ndirect\n0.979288 0.750000 0.088709 F\n0.666194 0.062143 0.121070 F\n0.666194 0.437857 0.121070 F\n0.166194 0.062143 0.378930 F\n0.166194 0.437857 0.378930 F\n0.479288 0.750000 0.411291 F\n0.520712 0.250000 0.588709 F\n0.833806 0.562143 0.621070 F\n0.833806 0.937857 0.621070 F\n0.333806 0.562143 0.878930 F\n0.333806 0.937857 0.878930 F\n0.020712 0.250000 0.911291 F\n0.369002 0.250000 0.062579 Gd\n0.869002 0.250000 0.437421 Gd\n0.130998 0.750000 0.562579 Gd\n0.630998 0.750000 0.937421 Gd\n","nsites":16,"nelements":2,"elements":["F","Gd"],"chemical_system":"F-Gd","density":7.879915733299748,"density_atomic":0.08859747544015803,"volume":180.59205322173074,"volume_molar":6.797192278991712,"formula_full":"Gd4 F12","formula_reduced":"GdF3","formula_anonymous":"AB3","formation_energy":-4.41407113809833,"spacegroup":62},{"id":"oqmd-1615185","created_at":"2022-09-04T15:58:39.294891Z","updated_at":"2022-09-04T15:58:39.294919Z","structure_string":"Gd1 Dy1 F6\n1.0\n5.671752 0.000000 0.000000\n-2.835876 4.911882 0.000000\n0.000000 0.000000 3.560562\nDy F Gd\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.362793 0.418432 0.000000 F\n0.055639 0.637207 0.000000 F\n0.581568 0.944361 0.000000 F\n0.275705 0.032653 0.500000 F\n0.967347 0.243052 0.500000 F\n0.756948 0.724295 0.500000 F\n0.333333 0.666667 0.500000 Gd\n","nsites":8,"nelements":3,"elements":["Dy","F","Gd"],"chemical_system":"Dy-F-Gd","density":7.26098069186092,"density_atomic":0.08065035373514876,"volume":99.19361328868503,"volume_molar":7.466973771468346,"formula_full":"Gd1 Dy1 F6","formula_reduced":"GdDyF6","formula_anonymous":"ABC6","formation_energy":-4.409331208619163,"spacegroup":174}]}