Cs2SbC
Alexandria ALEXAlex-ID: agm005497960 · 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_1069_spg122
Cs2Sb Cs5Sb4 CsC8
2023-03-20 09:46:09.203536
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005497960).
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 agm005497960
data_agm005497960
_cell_length_a 9.90812
_cell_length_b 9.90812
_cell_length_c 9.90812
_cell_angle_alpha 92.88110
_cell_angle_beta 92.88110
_cell_angle_gamma 154.08888
_cell_volume 414.22168
_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 0.65102 0.37500 0.77602 1.00000
Cs2 Cs 0.59898 0.87500 0.22398 1.00000
Cs3 Cs 0.12500 0.34898 0.72398 1.00000
Cs4 Cs 0.62500 0.40102 0.27602 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Sb2 Sb 0.25000 0.75000 0.50000 1.00000
C1 C 0.50000 0.50000 0.00000 1.00000
C2 C 0.75000 0.25000 0.50000 1.00000
获取直接链接