Cs2CeSbSe4
Alexandria ALEXAlex-ID: agm004766052 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_415_spg82
Cs3SbSe3 Cs2(CeSe2)3 CsSbSe2 Sb
2022-07-20 18:06:37.991761
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004766052).
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 agm004766052
data_agm004766052
_cell_length_a 7.71285
_cell_length_b 7.71285
_cell_length_c 7.71285
_cell_angle_alpha 99.02512
_cell_angle_beta 114.93351
_cell_angle_gamma 114.93351
_cell_volume 344.63585
_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
Cs1 Cs 0.50000 0.75000 0.25000 1.00000
Cs2 Cs 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.50000 0.25000 0.75000 1.00000
Sb1 Sb 0.00000 0.50000 0.50000 1.00000
Se1 Se 0.58043 0.36703 0.44855 1.00000
Se2 Se 0.08151 0.21340 0.63297 1.00000
Se3 Se 0.91849 0.55145 0.13188 1.00000
Se4 Se 0.41957 0.86812 0.78661 1.00000
获取直接链接