Bi12Rh3Br2
Alexandria ALEXAlex-ID: agm003242582 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C12_30_spg70
Bi12Rh3Br2
2021-12-26 12:47:49.864292
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242582).
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 agm003242582
data_agm003242582
_cell_length_a 18.25524
_cell_length_b 16.63455
_cell_length_c 9.20896
_cell_angle_alpha 84.70763
_cell_angle_beta 65.13974
_cell_angle_gamma 30.15263
_cell_volume 1024.14003
_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 0.43040 0.46376 0.31349 1.00000
Bi2 Bi 0.36993 0.85378 0.04843 1.00000
Bi3 Bi 0.31349 0.79235 0.43040 1.00000
Bi4 Bi 0.93651 0.45765 0.81960 1.00000
Bi5 Bi 0.72786 0.04843 0.85378 1.00000
Bi6 Bi 0.78624 0.81960 0.45765 1.00000
Bi7 Bi 0.11467 0.77859 0.78550 1.00000
Bi8 Bi 0.13533 0.47141 0.46450 1.00000
Bi9 Bi 0.77859 0.11467 0.32124 1.00000
Bi10 Bi 0.20157 0.52214 0.88007 1.00000
Bi11 Bi 0.92876 0.46450 0.47141 1.00000
Bi12 Bi 0.52214 0.20157 0.39622 1.00000
Bi13 Bi 0.79235 0.31349 0.46376 1.00000
Bi14 Bi 0.39622 0.88007 0.52214 1.00000
Bi15 Bi 0.78550 0.32124 0.11467 1.00000
Bi16 Bi 0.45765 0.93651 0.78624 1.00000
Bi17 Bi 0.46376 0.43040 0.79235 1.00000
Bi18 Bi 0.04843 0.72786 0.36993 1.00000
Bi19 Bi 0.85378 0.36993 0.72786 1.00000
Bi20 Bi 0.81960 0.78624 0.93651 1.00000
Bi21 Bi 0.47141 0.13533 0.92876 1.00000
Bi22 Bi 0.88007 0.39622 0.20157 1.00000
Bi23 Bi 0.32124 0.78550 0.77859 1.00000
Bi24 Bi 0.46450 0.92876 0.13533 1.00000
Rh1 Rh 0.62500 0.62500 0.12500 1.00000
Rh2 Rh 0.75000 0.75000 0.75000 1.00000
Rh3 Rh 0.62500 0.12500 0.62500 1.00000
Rh4 Rh 0.62500 0.62500 0.62500 1.00000
Rh5 Rh 0.12500 0.62500 0.62500 1.00000
Rh6 Rh 0.50000 0.50000 0.50000 1.00000
Br1 Br 0.79990 0.20010 0.79990 1.00000
Br2 Br 0.20010 0.79990 0.20010 1.00000
Br3 Br 0.04990 0.45010 0.04990 1.00000
Br4 Br 0.45010 0.04990 0.45010 1.00000
