Cs2K2USe4
Alexandria ALEXAlex-ID: agm011496097 · 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
AB2C2D4_182_spg12
K2USe3 Cs2Se
2024-05-14 06:26:31.453402
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011496097).
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 agm011496097
data_agm011496097
_cell_length_a 8.69967
_cell_length_b 8.69967
_cell_length_c 11.90028
_cell_angle_alpha 55.02652
_cell_angle_beta 55.02652
_cell_angle_gamma 30.49117
_cell_volume 367.60674
_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 0.18421 0.18421 0.69514 1.00000
Cs2 Cs 0.81579 0.81579 0.30486 1.00000
K1 K 0.63567 0.63567 0.10979 1.00000
K2 K 0.36433 0.36433 0.89021 1.00000
U1 U 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.18963 0.18963 0.23708 1.00000
Se2 Se 0.81037 0.81037 0.76292 1.00000
Se3 Se 0.43536 0.43536 0.41439 1.00000
Se4 Se 0.56464 0.56464 0.58561 1.00000
