AlBi
Alexandria ALEXAlex-ID: agm004469092 · 空间群: P4/m (#83)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2154_spg83
Bi Al
2022-05-29 10:44:49.415349
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004469092).
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 agm004469092
data_agm004469092
_cell_length_a 12.08850
_cell_length_b 12.08850
_cell_length_c 4.48270
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 655.06516
_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
Al1 Al 0.78736 0.62971 0.50000 1.00000
Al2 Al 0.21264 0.37029 0.50000 1.00000
Al3 Al 0.37029 0.78736 0.50000 1.00000
Al4 Al 0.62971 0.21264 0.50000 1.00000
Al5 Al 0.89568 0.44680 0.00000 1.00000
Al6 Al 0.10432 0.55320 0.00000 1.00000
Al7 Al 0.55320 0.89568 0.00000 1.00000
Al8 Al 0.44680 0.10432 0.00000 1.00000
Bi1 Bi 0.76757 0.40127 0.50000 1.00000
Bi2 Bi 0.23243 0.59873 0.50000 1.00000
Bi3 Bi 0.59873 0.76757 0.50000 1.00000
Bi4 Bi 0.40127 0.23243 0.50000 1.00000
Bi5 Bi 0.91377 0.69287 0.00000 1.00000
Bi6 Bi 0.08623 0.30713 0.00000 1.00000
Bi7 Bi 0.30713 0.91377 0.00000 1.00000
Bi8 Bi 0.69287 0.08623 0.00000 1.00000
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