In4Bi2Au
Alexandria ALEXAlex-ID: agm096138539 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_111_spg111
In2Au In Bi
2025-04-10 20:02:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096138539).
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 agm096138539
data_agm096138539
_cell_length_a 6.10011
_cell_length_b 4.49920
_cell_length_c 7.58500
_cell_angle_alpha 90.00000
_cell_angle_beta 92.05040
_cell_angle_gamma 90.00000
_cell_volume 208.04164
_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
In1 In 0.68495 0.50000 0.81353 1.00000
In2 In 0.68091 0.00000 0.35809 1.00000
In3 In 0.31909 0.00000 0.64191 1.00000
In4 In 0.31505 0.50000 0.18647 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Bi2 Bi 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.50000 0.00000 0.00000 1.00000
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