Li3RhCl6
Alexandria ALEXAlex-ID: agm003572809 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_2_spg139
RhCl3 LiCl
2022-03-29 17:29:55.129285
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003572809).
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 agm003572809
data_agm003572809
_cell_length_a 6.22003
_cell_length_b 6.22003
_cell_length_c 7.50743
_cell_angle_alpha 113.29807
_cell_angle_beta 113.29807
_cell_angle_gamma 92.59328
_cell_volume 237.91190
_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 0.75000 0.25000 0.50000 1.00000
Li2 Li 0.50000 0.50000 0.00000 1.00000
Li3 Li 0.25000 0.75000 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.66917 0.66917 0.72918 1.00000
Cl2 Cl 0.93999 0.93999 0.27082 1.00000
Cl3 Cl 0.06001 0.06001 0.72918 1.00000
Cl4 Cl 0.33083 0.33083 0.27082 1.00000
Cl5 Cl 0.74238 0.25762 0.00000 1.00000
Cl6 Cl 0.25762 0.74238 0.00000 1.00000
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