Rb2SnSe
Alexandria ALEXAlex-ID: agm002889587 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_317_spg122
Rb4Sn23 Rb4SnSe4 Rb2Se
2016-12-21 07:23:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002889587).
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 agm002889587
data_agm002889587
_cell_length_a 11.76997
_cell_length_b 11.76997
_cell_length_c 8.83299
_cell_angle_alpha 48.22169
_cell_angle_beta 48.22169
_cell_angle_gamma 90.00000
_cell_volume 409.91722
_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
Se1 Se 0.50000 0.50000 0.00000 1.00000
Se2 Se 0.25000 0.75000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.75000 0.25000 0.50000 1.00000
Rb1 Rb 0.48758 0.12500 0.25000 1.00000
Rb2 Rb 0.26242 0.62500 0.25000 1.00000
Rb3 Rb 0.37500 0.51242 0.75000 1.00000
Rb4 Rb 0.87500 0.73758 0.75000 1.00000
获取直接链接