Cs5Al2Bi5
Alexandria ALEXAlex-ID: agm003374789 · 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
A2B5C5_30_spg12
Al CsBi
2022-02-09 13:48:18.868045
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374789).
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}
}
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# CIF generated by HEAS from Alexandria entry agm003374789
data_agm003374789
_cell_length_a 5.09140
_cell_length_b 10.62937
_cell_length_c 16.25591
_cell_angle_alpha 134.31432
_cell_angle_beta 90.00000
_cell_angle_gamma 103.85685
_cell_volume 593.16331
_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
Cs1 Cs 0.50000 0.00000 0.50000 1.00000
Cs2 Cs 0.74026 0.48052 0.12879 1.00000
Cs3 Cs 0.66007 0.32014 0.29311 1.00000
Cs4 Cs 0.33993 0.67986 0.70689 1.00000
Cs5 Cs 0.25974 0.51948 0.87121 1.00000
Al1 Al 0.05222 0.10445 0.87854 1.00000
Al2 Al 0.94778 0.89555 0.12146 1.00000
Bi1 Bi 0.06243 0.12486 0.37134 1.00000
Bi2 Bi 0.56942 0.13885 0.79409 1.00000
Bi3 Bi 0.43058 0.86115 0.20591 1.00000
Bi4 Bi 0.93757 0.87514 0.62866 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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