Zn4InBi8
Alexandria ALEXAlex-ID: agm098104880 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_158_spg12
Zn In Bi
2025-06-19 23:21:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098104880).
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 agm098104880
data_agm098104880
_cell_length_a 5.19757
_cell_length_b 9.33489
_cell_length_c 9.34291
_cell_angle_alpha 56.39948
_cell_angle_beta 96.12848
_cell_angle_gamma 96.17625
_cell_volume 374.76397
_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
Zn1 Zn 0.04878 0.97591 0.97021 1.00000
Zn2 Zn 0.12285 0.42441 0.07717 1.00000
Zn3 Zn 0.82757 0.49307 0.49339 1.00000
Zn4 Zn 0.12308 0.07642 0.42443 1.00000
In1 In 0.57665 0.01914 0.02339 1.00000
Bi1 Bi 0.60797 0.21330 0.21191 1.00000
Bi2 Bi 0.75235 0.62238 0.11172 1.00000
Bi3 Bi 0.68070 0.65142 0.65081 1.00000
Bi4 Bi 0.75211 0.11157 0.62158 1.00000
Bi5 Bi 0.23548 0.82793 0.36012 1.00000
Bi6 Bi 0.27688 0.40389 0.40418 1.00000
Bi7 Bi 0.23625 0.35969 0.82945 1.00000
Bi8 Bi 0.25934 0.82086 0.82164 1.00000
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