KU2(I2F)3
Alexandria ALEXAlex-ID: agm071551592 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_652_spg212
K2UI6 UI4 KUI6 U4F15
2024-09-12 08:56:55.823184
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071551592).
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 agm071551592
data_agm071551592
_cell_length_a 14.04040
_cell_length_b 14.04040
_cell_length_c 14.04040
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2767.82676
_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 0.12500 0.12500 0.12500 1.00000
K2 K 0.37500 0.87500 0.62500 1.00000
K3 K 0.87500 0.62500 0.37500 1.00000
K4 K 0.62500 0.37500 0.87500 1.00000
U1 U 0.69669 0.69669 0.69669 1.00000
U2 U 0.80331 0.30331 0.19669 1.00000
U3 U 0.30331 0.19669 0.80331 1.00000
U4 U 0.19669 0.80331 0.30331 1.00000
U5 U 0.94669 0.44669 0.05331 1.00000
U6 U 0.55331 0.55331 0.55331 1.00000
U7 U 0.44669 0.05331 0.94669 1.00000
U8 U 0.05331 0.94669 0.44669 1.00000
I1 I 0.09826 0.19552 0.84854 1.00000
I2 I 0.40174 0.80448 0.34854 1.00000
I3 I 0.90174 0.69552 0.65146 1.00000
I4 I 0.59826 0.30448 0.15146 1.00000
I5 I 0.84854 0.09826 0.19552 1.00000
I6 I 0.34854 0.40174 0.80448 1.00000
I7 I 0.65146 0.90174 0.69552 1.00000
I8 I 0.15146 0.59826 0.30448 1.00000
I9 I 0.19552 0.84854 0.09826 1.00000
I10 I 0.80448 0.34854 0.40174 1.00000
I11 I 0.69552 0.65146 0.90174 1.00000
I12 I 0.30448 0.15146 0.59826 1.00000
I13 I 0.44552 0.84826 0.90146 1.00000
I14 I 0.05448 0.15174 0.40146 1.00000
I15 I 0.94552 0.65174 0.09854 1.00000
I16 I 0.55448 0.34826 0.59854 1.00000
I17 I 0.34826 0.59854 0.55448 1.00000
I18 I 0.65174 0.09854 0.94552 1.00000
I19 I 0.15174 0.40146 0.05448 1.00000
I20 I 0.84826 0.90146 0.44552 1.00000
I21 I 0.09854 0.94552 0.65174 1.00000
I22 I 0.59854 0.55448 0.34826 1.00000
I23 I 0.90146 0.44552 0.84826 1.00000
I24 I 0.40146 0.05448 0.15174 1.00000
F1 F 0.62500 0.70008 0.54992 1.00000
F2 F 0.87500 0.29992 0.04992 1.00000
F3 F 0.37500 0.20008 0.95008 1.00000
F4 F 0.12500 0.79992 0.45008 1.00000
F5 F 0.54992 0.62500 0.70008 1.00000
F6 F 0.04992 0.87500 0.29992 1.00000
F7 F 0.95008 0.37500 0.20008 1.00000
F8 F 0.45008 0.12500 0.79992 1.00000
F9 F 0.70008 0.54992 0.62500 1.00000
F10 F 0.29992 0.04992 0.87500 1.00000
F11 F 0.20008 0.95008 0.37500 1.00000
F12 F 0.79992 0.45008 0.12500 1.00000
