KUF6
Alexandria ALEXAlex-ID: agm015509300 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_49_spg2
KUF6
2025-01-04 06:56:46
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015509300).
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 agm015509300
data_agm015509300
_cell_length_a 6.52380
_cell_length_b 6.52380
_cell_length_c 11.22621
_cell_angle_alpha 72.37897
_cell_angle_beta 107.62103
_cell_angle_gamma 116.77586
_cell_volume 398.69861
_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 0.24789 0.24789 0.75000 1.00000
K2 K 0.75211 0.75211 0.25000 1.00000
U1 U 0.50000 0.00000 0.50000 1.00000
U2 U 0.00000 0.50000 0.00000 1.00000
F1 F 0.84995 0.07033 0.58817 1.00000
F2 F 0.92967 0.15005 0.08817 1.00000
F3 F 0.55573 0.93612 0.34328 1.00000
F4 F 0.06388 0.44427 0.84328 1.00000
F5 F 0.15005 0.92967 0.41183 1.00000
F6 F 0.07033 0.84995 0.91183 1.00000
F7 F 0.40818 0.64629 0.58549 1.00000
F8 F 0.35371 0.59182 0.08549 1.00000
F9 F 0.44427 0.06388 0.65672 1.00000
F10 F 0.93612 0.55573 0.15672 1.00000
F11 F 0.59182 0.35371 0.41451 1.00000
F12 F 0.64629 0.40818 0.91451 1.00000
获取直接链接