Ac3Zn2Ag3
Alexandria ALEXAlex-ID: agm003330992 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_10_spg63
AcZnAg AcAg
2022-01-23 03:00:16.372355
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003330992).
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 agm003330992
data_agm003330992
_cell_length_a 4.81214
_cell_length_b 6.19036
_cell_length_c 15.93652
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 112.87242
_cell_volume 437.40402
_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
Ac1 Ac 0.90142 0.80284 0.39851 1.00000
Ac2 Ac 0.09858 0.19716 0.89851 1.00000
Ac3 Ac 0.90142 0.80284 0.10149 1.00000
Ac4 Ac 0.09858 0.19716 0.60149 1.00000
Ac5 Ac 0.61751 0.23501 0.25000 1.00000
Ac6 Ac 0.38249 0.76499 0.75000 1.00000
Zn1 Zn 0.80244 0.60487 0.90026 1.00000
Zn2 Zn 0.19756 0.39513 0.40026 1.00000
Zn3 Zn 0.80244 0.60487 0.59974 1.00000
Zn4 Zn 0.19756 0.39513 0.09974 1.00000
Ag1 Ag 0.61350 0.22700 0.45698 1.00000
Ag2 Ag 0.38650 0.77300 0.95698 1.00000
Ag3 Ag 0.61350 0.22700 0.04302 1.00000
Ag4 Ag 0.38650 0.77300 0.54302 1.00000
Ag5 Ag 0.32392 0.64784 0.25000 1.00000
Ag6 Ag 0.67608 0.35216 0.75000 1.00000
获取直接链接