UF6
Alexandria ALEXAlex-ID: agm005236113 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6_240_spg62
UF6
2023-05-11 08:53:11.058516
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236113).
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 agm005236113
data_agm005236113
_cell_length_a 5.24547
_cell_length_b 9.27513
_cell_length_c 10.48099
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 509.92515
_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 0.00202 0.75000 0.12941 1.00000
U2 U 0.49798 0.75000 0.62941 1.00000
U3 U 0.50202 0.25000 0.37059 1.00000
U4 U 0.99798 0.25000 0.87059 1.00000
F1 F 0.77529 0.40395 0.79127 1.00000
F2 F 0.72471 0.09605 0.29127 1.00000
F3 F 0.26892 0.75000 0.47403 1.00000
F4 F 0.73108 0.25000 0.52597 1.00000
F5 F 0.27529 0.59605 0.70873 1.00000
F6 F 0.27529 0.90395 0.70873 1.00000
F7 F 0.77529 0.09605 0.79127 1.00000
F8 F 0.22471 0.59605 0.20873 1.00000
F9 F 0.78027 0.59625 0.04909 1.00000
F10 F 0.72471 0.40395 0.29127 1.00000
F11 F 0.23108 0.75000 0.97403 1.00000
F12 F 0.21973 0.40375 0.95091 1.00000
F13 F 0.72819 0.75000 0.78435 1.00000
F14 F 0.76892 0.25000 0.02597 1.00000
F15 F 0.77181 0.75000 0.28435 1.00000
F16 F 0.78027 0.90375 0.04909 1.00000
F17 F 0.71973 0.90375 0.54909 1.00000
F18 F 0.22819 0.25000 0.71565 1.00000
F19 F 0.21973 0.09625 0.95091 1.00000
F20 F 0.28027 0.40375 0.45091 1.00000
F21 F 0.27181 0.25000 0.21565 1.00000
F22 F 0.71973 0.59625 0.54909 1.00000
F23 F 0.22471 0.90395 0.20873 1.00000
F24 F 0.28027 0.09625 0.45091 1.00000
