Ce5Bi4P
Alexandria ALEXAlex-ID: agm003660880 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_3_spg79
CeBi CeP
2022-04-07 20:24:33.757597
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003660880).
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 agm003660880
data_agm003660880
_cell_length_a 6.38534
_cell_length_b 7.78504
_cell_length_c 7.78504
_cell_angle_alpha 80.31771
_cell_angle_beta 65.78867
_cell_angle_gamma 65.78867
_cell_volume 321.90859
_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
Ce1 Ce 0.90453 0.37414 0.81889 1.00000
Ce2 Ce 0.27867 0.81889 0.62586 1.00000
Ce3 Ce 0.72342 0.18111 0.37414 1.00000
Ce4 Ce 0.09755 0.62586 0.18111 1.00000
Ce5 Ce 0.50099 0.00000 0.00000 1.00000
Bi1 Bi 0.40968 0.39647 0.78623 1.00000
Bi2 Bi 0.80615 0.78623 0.60353 1.00000
Bi3 Bi 0.19591 0.21377 0.39647 1.00000
Bi4 Bi 0.59238 0.60353 0.21377 1.00000
P1 P 0.00101 1.00000 1.00000 1.00000
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