CsKTl3
Alexandria ALEXAlex-ID: agm005772495 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_3777_spg2
CsTl2 K8Tl11 CsTl
2023-07-04 09:30:18.092788
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772495).
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 agm005772495
data_agm005772495
_cell_length_a 8.64352
_cell_length_b 8.64352
_cell_length_c 8.41616
_cell_angle_alpha 66.46220
_cell_angle_beta 66.46219
_cell_angle_gamma 51.18908
_cell_volume 439.30060
_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 0.35403 0.35403 0.27193 1.00000
Cs2 Cs 0.64597 0.64597 0.72807 1.00000
K1 K 0.83445 0.83445 0.05728 1.00000
K2 K 0.16555 0.16555 0.94272 1.00000
Tl1 Tl 0.81678 0.38582 0.32039 1.00000
Tl2 Tl 0.06732 0.06732 0.62597 1.00000
Tl3 Tl 0.38582 0.81678 0.32039 1.00000
Tl4 Tl 0.61418 0.18322 0.67961 1.00000
Tl5 Tl 0.18322 0.61418 0.67961 1.00000
Tl6 Tl 0.93268 0.93268 0.37403 1.00000
获取直接链接