Re2Ru
Alexandria ALEXAlex-ID: agm005448955 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_62_spg141
ReRu Re5Ru2
2023-03-24 02:28:54.833234
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005448955).
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 agm005448955
data_agm005448955
_cell_length_a 12.38735
_cell_length_b 12.38735
_cell_length_c 12.38735
_cell_angle_alpha 167.33072
_cell_angle_beta 167.33072
_cell_angle_gamma 17.95395
_cell_volume 91.42620
_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 0.32807 0.82807 0.50000 1.00000
Re2 Re 0.17193 0.67193 0.50000 1.00000
Re3 Re 0.57807 0.57807 0.00000 1.00000
Re4 Re 0.42193 0.42193 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.75000 0.25000 0.50000 1.00000
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