Cs2BaSb6
Alexandria ALEXAlex-ID: agm005709344 · 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
AB2C6_2752_spg71
BaSb2 CsSb2
2023-07-09 07:54:41.348155
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709344).
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 agm005709344
data_agm005709344
_cell_length_a 4.37529
_cell_length_b 9.42172
_cell_length_c 9.42171
_cell_angle_alpha 84.27132
_cell_angle_beta 76.57550
_cell_angle_gamma 76.57551
_cell_volume 367.02152
_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 0.64984 0.34988 0.34988 1.00000
Cs2 Cs 0.35016 0.65012 0.65012 1.00000
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.16764 0.59766 0.06700 1.00000
Sb2 Sb 0.83237 0.93300 0.40234 1.00000
Sb3 Sb 0.83236 0.40234 0.93300 1.00000
Sb4 Sb 0.50000 0.76983 0.23017 1.00000
Sb5 Sb 0.16763 0.06700 0.59766 1.00000
Sb6 Sb 0.50000 0.23017 0.76983 1.00000
获取直接链接