Re3As5
Alexandria ALEXAlex-ID: agm005497654 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_1_spg65
Re3As7 Re
2023-03-18 08:28:23.957950
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005497654).
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 agm005497654
data_agm005497654
_cell_length_a 5.58067
_cell_length_b 5.58067
_cell_length_c 4.32427
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.96830
_cell_volume 126.57839
_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
Re1 Re 0.50000 0.50000 0.00000 1.00000
Re2 Re 0.73734 0.26266 0.50000 1.00000
Re3 Re 0.26266 0.73734 0.50000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.00000 0.50000 0.00000 1.00000
As3 As 0.50000 0.00000 0.00000 1.00000
As4 As 0.26946 0.26946 0.50000 1.00000
As5 As 0.73054 0.73054 0.50000 1.00000
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