Bi5Rh3Se
Alexandria ALEXAlex-ID: agm003563776 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_250_spg12
BiRhSe Bi2Rh
2022-03-25 06:14:34.512527
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003563776).
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 agm003563776
data_agm003563776
_cell_length_a 7.44979
_cell_length_b 7.44979
_cell_length_c 9.61897
_cell_angle_alpha 72.51717
_cell_angle_beta 72.51717
_cell_angle_gamma 75.32168
_cell_volume 477.79331
_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
Bi1 Bi 0.98130 0.39461 0.37911 1.00000
Bi2 Bi 0.29931 0.70069 0.00000 1.00000
Bi3 Bi 0.76285 0.76285 0.03089 1.00000
Bi4 Bi 0.45366 0.45366 0.35650 1.00000
Bi5 Bi 0.54634 0.54634 0.64350 1.00000
Bi6 Bi 0.23715 0.23715 0.96911 1.00000
Bi7 Bi 0.39461 0.98130 0.37911 1.00000
Bi8 Bi 0.70069 0.29931 0.00000 1.00000
Bi9 Bi 0.01870 0.60539 0.62089 1.00000
Bi10 Bi 0.60539 0.01870 0.62089 1.00000
Rh1 Rh 0.66804 0.66804 0.82391 1.00000
Rh2 Rh 0.68668 0.68668 0.32640 1.00000
Rh3 Rh 0.00000 0.00000 0.00000 1.00000
Rh4 Rh 0.00000 0.00000 0.50000 1.00000
Rh5 Rh 0.33196 0.33196 0.17609 1.00000
Rh6 Rh 0.31332 0.31332 0.67360 1.00000
Se1 Se 0.08244 0.08244 0.71188 1.00000
Se2 Se 0.91756 0.91756 0.28812 1.00000
获取直接链接