ZnAu4
Alexandria ALEXAlex-ID: agm008078331 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_227_spg2
ZnAu3 Au
2025-04-16 05:50:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008078331).
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
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# CIF generated by HEAS from Alexandria entry agm008078331
data_agm008078331
_cell_length_a 7.94575
_cell_length_b 7.94575
_cell_length_c 7.94575
_cell_angle_alpha 158.31991
_cell_angle_beta 151.93098
_cell_angle_gamma 35.74329
_cell_volume 87.10095
_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 0.50000 0.00000 0.50000 1.00000
Au1 Au 0.90704 0.40704 0.50000 1.00000
Au2 Au 0.30162 0.80162 0.50000 1.00000
Au3 Au 0.69838 0.19838 0.50000 1.00000
Au4 Au 0.09296 0.59296 0.50000 1.00000
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