K2OsF6
Alexandria ALEXAlex-ID: agm081292018 · 空间群: Pa-3 (#205)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_6195_spg205
KOsF6 Os KF
2025-02-23 18:17:39
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081292018).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm081292018
data_agm081292018
_cell_length_a 8.92837
_cell_length_b 8.92837
_cell_length_c 8.92837
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 711.73135
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.22502 0.22502 0.22502 1.00000
K2 K 0.27498 0.77498 0.72502 1.00000
K3 K 0.77498 0.72502 0.27498 1.00000
K4 K 0.72502 0.27498 0.77498 1.00000
K5 K 0.77498 0.77498 0.77498 1.00000
K6 K 0.72502 0.22502 0.27498 1.00000
K7 K 0.22502 0.27498 0.72502 1.00000
K8 K 0.27498 0.72502 0.22502 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.50000 0.00000 0.50000 1.00000
Os3 Os 0.00000 0.50000 0.50000 1.00000
Os4 Os 0.50000 0.50000 0.00000 1.00000
F1 F 0.46112 0.45563 0.78672 1.00000
F2 F 0.03888 0.54437 0.28672 1.00000
F3 F 0.53888 0.95563 0.71328 1.00000
F4 F 0.96112 0.04437 0.21328 1.00000
F5 F 0.78672 0.46112 0.45563 1.00000
F6 F 0.28672 0.03888 0.54437 1.00000
F7 F 0.71328 0.53888 0.95563 1.00000
F8 F 0.21328 0.96112 0.04437 1.00000
F9 F 0.45563 0.78672 0.46112 1.00000
F10 F 0.54437 0.28672 0.03888 1.00000
F11 F 0.95563 0.71328 0.53888 1.00000
F12 F 0.04437 0.21328 0.96112 1.00000
F13 F 0.53888 0.54437 0.21328 1.00000
F14 F 0.96112 0.45563 0.71328 1.00000
F15 F 0.46112 0.04437 0.28672 1.00000
F16 F 0.03888 0.95563 0.78672 1.00000
F17 F 0.21328 0.53888 0.54437 1.00000
F18 F 0.71328 0.96112 0.45563 1.00000
F19 F 0.28672 0.46112 0.04437 1.00000
F20 F 0.78672 0.03888 0.95563 1.00000
F21 F 0.54437 0.21328 0.53888 1.00000
F22 F 0.45563 0.71328 0.96112 1.00000
F23 F 0.04437 0.28672 0.46112 1.00000
F24 F 0.95563 0.78672 0.03888 1.00000
