Cs2Cd4Bi5
Alexandria ALEXAlex-ID: agm005666447 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_382_spg69
Cs(CdBi)2 Bi
2023-06-21 10:51:06.459026
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666447).
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 agm005666447
data_agm005666447
_cell_length_a 7.37856
_cell_length_b 7.33486
_cell_length_c 9.67035
_cell_angle_alpha 78.93696
_cell_angle_beta 67.57310
_cell_angle_gamma 59.80268
_cell_volume 418.13242
_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 0.86860 1.00000 0.26281 1.00000
Cs2 Cs 0.13140 0.00000 0.73719 1.00000
Cd1 Cd 0.46670 0.32636 0.74024 1.00000
Cd2 Cd 0.53330 0.67364 0.25976 1.00000
Cd3 Cd 0.20694 0.32636 0.25976 1.00000
Cd4 Cd 0.79306 0.67364 0.74024 1.00000
Bi1 Bi 0.50000 0.00000 0.00000 1.00000
Bi2 Bi 0.00000 0.50000 0.00000 1.00000
Bi3 Bi 0.50000 0.50000 0.00000 1.00000
Bi4 Bi 0.25000 0.50000 0.50000 1.00000
Bi5 Bi 0.75000 0.50000 0.50000 1.00000
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