Cd2In4Bi3
Alexandria ALEXAlex-ID: agm005651906 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_295_spg15
Cd4In3 CdIn6 Bi
2023-06-26 20:14:52.173601
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651906).
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 agm005651906
data_agm005651906
_cell_length_a 5.62287
_cell_length_b 9.82850
_cell_length_c 9.82849
_cell_angle_alpha 73.10173
_cell_angle_beta 84.44993
_cell_angle_gamma 84.44992
_cell_volume 515.93224
_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
Cd1 Cd 0.20406 0.72770 0.48384 1.00000
Cd2 Cd 0.29594 0.51616 0.27230 1.00000
Cd3 Cd 0.79594 0.27230 0.51616 1.00000
Cd4 Cd 0.70406 0.48384 0.72770 1.00000
In1 In 0.51768 0.06436 0.82466 1.00000
In2 In 0.98232 0.17534 0.93564 1.00000
In3 In 0.48232 0.93564 0.17534 1.00000
In4 In 0.01768 0.82466 0.06436 1.00000
In5 In 0.61234 0.82972 0.61116 1.00000
In6 In 0.88766 0.38884 0.17028 1.00000
In7 In 0.38766 0.17028 0.38884 1.00000
In8 In 0.11234 0.61116 0.82972 1.00000
Bi1 Bi 0.05301 0.97755 0.68966 1.00000
Bi2 Bi 0.44699 0.31034 0.02245 1.00000
Bi3 Bi 0.94699 0.02245 0.31034 1.00000
Bi4 Bi 0.55301 0.68966 0.97755 1.00000
Bi5 Bi 0.25000 0.37915 0.62085 1.00000
Bi6 Bi 0.75000 0.62085 0.37915 1.00000
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