UF4
Alexandria ALEXAlex-ID: agm003239644 · 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
AB4_128_spg15
UF4
2021-12-23 20:25:45.774620
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239644).
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 agm003239644
data_agm003239644
_cell_length_a 8.41804
_cell_length_b 8.41804
_cell_length_c 8.41934
_cell_angle_alpha 63.12201
_cell_angle_beta 63.12201
_cell_angle_gamma 80.36809
_cell_volume 474.16491
_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
U1 U 0.22365 0.36756 0.33060 1.00000
U2 U 0.63244 0.77635 0.16940 1.00000
U3 U 0.77635 0.63244 0.66940 1.00000
U4 U 0.36756 0.22365 0.83060 1.00000
U5 U 0.21315 0.78685 0.75000 1.00000
U6 U 0.78685 0.21315 0.25000 1.00000
F1 F 0.72537 0.02657 0.15228 1.00000
F2 F 0.97343 0.27463 0.34772 1.00000
F3 F 0.27463 0.97343 0.84772 1.00000
F4 F 0.02657 0.72537 0.65228 1.00000
F5 F 0.50219 0.25593 0.28942 1.00000
F6 F 0.74407 0.49781 0.21058 1.00000
F7 F 0.50000 0.00000 0.00000 1.00000
F8 F 0.00000 0.50000 0.50000 1.00000
F9 F 0.39847 0.60153 0.25000 1.00000
F10 F 0.60153 0.39847 0.75000 1.00000
F11 F 0.81047 0.39986 0.92774 1.00000
F12 F 0.60014 0.18953 0.57226 1.00000
F13 F 0.18953 0.60014 0.07226 1.00000
F14 F 0.39986 0.81047 0.42774 1.00000
F15 F 0.06686 0.17536 0.04510 1.00000
F16 F 0.82464 0.93314 0.45490 1.00000
F17 F 0.93314 0.82464 0.95490 1.00000
F18 F 0.17536 0.06686 0.54510 1.00000
F19 F 0.67808 0.73920 0.89534 1.00000
F20 F 0.26080 0.32192 0.60466 1.00000
F21 F 0.32192 0.26080 0.10466 1.00000
F22 F 0.73920 0.67808 0.39534 1.00000
F23 F 0.25593 0.50219 0.78942 1.00000
F24 F 0.49781 0.74407 0.71058 1.00000
