BiRh2F8
Alexandria ALEXAlex-ID: agm005997899 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_139_spg164
RhF3 Rh BiF3
2023-10-16 21:38:42.234325
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997899).
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 agm005997899
data_agm005997899
_cell_length_a 4.22314
_cell_length_b 7.02128
_cell_length_c 7.02032
_cell_angle_alpha 120.02381
_cell_angle_beta 89.99181
_cell_angle_gamma 90.00636
_cell_volume 180.23339
_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
Rh1 Rh 0.28133 0.33332 0.66675 1.00000
Rh2 Rh 0.71867 0.66668 0.33323 1.00000
Bi1 Bi 0.00000 0.00000 0.99999 1.00000
F1 F 0.22255 0.66667 0.33318 1.00000
F2 F 0.77745 0.33333 0.66678 1.00000
F3 F 0.73413 0.83642 0.16241 1.00000
F4 F 0.26596 0.16244 0.32602 1.00000
F5 F 0.26595 0.67400 0.83634 1.00000
F6 F 0.26587 0.16359 0.83758 1.00000
F7 F 0.73404 0.83755 0.67396 1.00000
F8 F 0.73405 0.32600 0.16366 1.00000
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