Rb2CdInCl5
Alexandria ALEXAlex-ID: agm005178183 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_208_spg71
Rb4CdCl6 RbInCl3 RbCdCl3 In
2023-01-19 23:38:20.106091
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178183).
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 agm005178183
data_agm005178183
_cell_length_a 5.18174
_cell_length_b 7.45532
_cell_length_c 9.05451
_cell_angle_alpha 114.31112
_cell_angle_beta 106.62709
_cell_angle_gamma 90.00000
_cell_volume 302.65055
_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
Rb1 Rb 0.20569 0.20569 0.41138 1.00000
Rb2 Rb 0.79431 0.79431 0.58862 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
In1 In 0.00000 0.50000 0.00000 1.00000
Cl1 Cl 0.62170 0.87108 0.24340 1.00000
Cl2 Cl 0.37830 0.12892 0.75660 1.00000
Cl3 Cl 0.37830 0.62768 0.75660 1.00000
Cl4 Cl 0.62170 0.37232 0.24340 1.00000
Cl5 Cl 0.00000 0.00000 0.00000 1.00000
获取直接链接