LiRu
Alexandria ALEXAlex-ID: agm005482260 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_37_spg8
Ru Li
2023-03-21 10:37:39.272660
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005482260).
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 agm005482260
data_agm005482260
_cell_length_a 5.36110
_cell_length_b 5.36110
_cell_length_c 6.24934
_cell_angle_alpha 77.75899
_cell_angle_beta 77.75899
_cell_angle_gamma 28.64177
_cell_volume 84.00860
_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
Li1 Li 0.01451 0.01451 0.99673 1.00000
Li2 Li 0.65875 0.65875 0.65231 1.00000
Li3 Li 0.61112 0.61112 0.29159 1.00000
Ru1 Ru 0.34294 0.34294 0.31684 1.00000
Ru2 Ru 0.91514 0.91514 0.62365 1.00000
Ru3 Ru 0.29086 0.29086 0.95222 1.00000
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