KErUSe4
Alexandria ALEXAlex-ID: agm066429952 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD4_550_spg11
K2Er2USe6 K(USe2)4 KU2Se5 Er2Se3
2025-02-02 07:23:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066429952).
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 agm066429952
data_agm066429952
_cell_length_a 7.12281
_cell_length_b 8.25016
_cell_length_c 8.41989
_cell_angle_alpha 104.21262
_cell_angle_beta 98.61341
_cell_angle_gamma 89.89573
_cell_volume 473.91932
_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
K1 K 0.17720 0.24935 0.99507 1.00000
K2 K 0.82280 0.75065 0.00493 1.00000
Er1 Er 0.25310 0.38067 0.50775 1.00000
Er2 Er 0.74690 0.61933 0.49225 1.00000
U1 U 0.25182 0.87159 0.49893 1.00000
U2 U 0.74818 0.12841 0.50107 1.00000
Se1 Se 0.45173 0.67749 0.69459 1.00000
Se2 Se 0.05319 0.57451 0.30239 1.00000
Se3 Se 0.54827 0.32251 0.30541 1.00000
Se4 Se 0.94681 0.42549 0.69761 1.00000
Se5 Se 0.04914 0.07803 0.30789 1.00000
Se6 Se 0.95086 0.92197 0.69211 1.00000
Se7 Se 0.45117 0.17010 0.69420 1.00000
Se8 Se 0.54883 0.82990 0.30580 1.00000
获取直接链接