Be5Zn4
Alexandria ALEXAlex-ID: agm005503012 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_4_spg139
Zn Be
2023-03-19 11:56:51.551276
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503012).
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 agm005503012
data_agm005503012
_cell_length_a 5.60021
_cell_length_b 5.60021
_cell_length_c 5.60021
_cell_angle_alpha 95.69919
_cell_angle_beta 95.69919
_cell_angle_gamma 143.26292
_cell_volume 99.70282
_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
Be1 Be 0.00000 0.00000 0.00000 1.00000
Be2 Be 0.65376 0.34624 0.00000 1.00000
Be3 Be 0.34624 0.65376 0.00000 1.00000
Be4 Be 0.34624 0.34624 0.69248 1.00000
Be5 Be 0.65376 0.65376 0.30752 1.00000
Zn1 Zn 0.68683 0.00000 0.68683 1.00000
Zn2 Zn 0.31317 0.00000 0.31317 1.00000
Zn3 Zn 0.00000 0.31317 0.31317 1.00000
Zn4 Zn 0.00000 0.68683 0.68683 1.00000
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