Cs(K2Cd)4
Alexandria ALEXAlex-ID: agm097312932 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1347_spg6
K2Cd3 CsK2 K
2025-06-16 06:08:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097312932).
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 agm097312932
data_agm097312932
_cell_length_a 5.71470
_cell_length_b 10.78199
_cell_length_c 12.53752
_cell_angle_alpha 66.78987
_cell_angle_beta 89.99482
_cell_angle_gamma 90.00067
_cell_volume 709.98746
_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 0.23078 0.97392 0.89431 1.00000
K1 K 0.23085 0.16770 0.21484 1.00000
K2 K 0.23077 0.71091 0.27200 1.00000
K3 K 0.23089 0.53528 0.64791 1.00000
K4 K 0.73091 0.19803 0.55055 1.00000
K5 K 0.73072 0.89124 0.42582 1.00000
K6 K 0.73077 0.51828 0.16194 1.00000
K7 K 0.73087 0.30510 0.92129 1.00000
K8 K 0.73063 0.73907 0.78386 1.00000
Cd1 Cd 0.73082 0.94076 0.12602 1.00000
Cd2 Cd 0.23047 0.52359 0.96480 1.00000
Cd3 Cd 0.73073 0.55154 0.45677 1.00000
Cd4 Cd 0.23081 0.94457 0.57988 1.00000
获取直接链接