In2Re2Ag
Alexandria ALEXAlex-ID: agm005411900 · 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
AB2C2_40_spg139
In2Ag5 In Re
2023-03-17 09:16:18.893008
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005411900).
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 agm005411900
data_agm005411900
_cell_length_a 5.47504
_cell_length_b 5.47504
_cell_length_c 5.47504
_cell_angle_alpha 123.71211
_cell_angle_beta 123.71211
_cell_angle_gamma 83.68234
_cell_volume 108.81416
_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
In1 In 0.25000 0.75000 0.50000 1.00000
In2 In 0.75000 0.25000 0.50000 1.00000
Re1 Re 0.63967 0.63967 0.00000 1.00000
Re2 Re 0.36033 0.36033 0.00000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
获取直接链接