Zn5Ag4Pt
Alexandria ALEXAlex-ID: agm006111630 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_148_spg123
ZnAg2 Zn3Pt
2023-10-18 09:44:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111630).
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 agm006111630
data_agm006111630
_cell_length_a 2.89830
_cell_length_b 2.89830
_cell_length_c 18.90785
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 158.82892
_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 0.50000 0.09152 1.00000
Zn2 Zn 0.50000 0.50000 0.29689 1.00000
Zn3 Zn 0.50000 0.50000 0.50000 1.00000
Zn4 Zn 0.50000 0.50000 0.70311 1.00000
Zn5 Zn 0.50000 0.50000 0.90848 1.00000
Ag1 Ag 0.00000 0.00000 0.19554 1.00000
Ag2 Ag 0.00000 0.00000 0.39844 1.00000
Ag3 Ag 0.00000 0.00000 0.60156 1.00000
Ag4 Ag 0.00000 0.00000 0.80446 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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