RbSr2Cl4
Alexandria ALEXAlex-ID: agm096501630 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_22_spg12
RbSr2Cl5 Rb2SrCl4 Sr
2025-04-10 16:27:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096501630).
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 agm096501630
data_agm096501630
_cell_length_a 10.39595
_cell_length_b 4.54246
_cell_length_c 7.74891
_cell_angle_alpha 90.00000
_cell_angle_beta 110.81779
_cell_angle_gamma 90.00000
_cell_volume 342.03888
_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 0.50090 0.50000 0.95930 1.00000
Sr1 Sr 0.00843 0.50000 0.01192 1.00000
Sr2 Sr 0.99217 0.00000 0.50228 1.00000
Cl1 Cl 0.14323 0.00000 0.24813 1.00000
Cl2 Cl 0.14109 0.50000 0.73219 1.00000
Cl3 Cl 0.85170 0.50000 0.26533 1.00000
Cl4 Cl 0.86249 0.00000 0.78084 1.00000
获取直接链接