UHg2F11
Alexandria ALEXAlex-ID: agm005741978 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C11_26_spg72
HgF3 UF6 HgF2
2023-07-02 01:02:11.433692
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005741978).
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 agm005741978
data_agm005741978
_cell_length_a 7.57233
_cell_length_b 8.94305
_cell_length_c 8.94305
_cell_angle_alpha 76.19113
_cell_angle_beta 64.95285
_cell_angle_gamma 64.95284
_cell_volume 495.76529
_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 0.75000 0.75000 0.75000 1.00000
U2 U 0.25000 0.25000 0.25000 1.00000
Hg1 Hg 0.65012 0.66201 0.33799 1.00000
Hg2 Hg 0.34988 0.33799 0.66201 1.00000
Hg3 Hg 0.84988 0.16201 0.83799 1.00000
Hg4 Hg 0.15012 0.83799 0.16201 1.00000
F1 F 0.60237 0.74185 0.58705 1.00000
F2 F 0.39763 0.25815 0.41295 1.00000
F3 F 0.06873 0.58705 0.74185 1.00000
F4 F 0.89763 0.91295 0.75815 1.00000
F5 F 0.93127 0.41295 0.25815 1.00000
F6 F 0.10237 0.08705 0.24185 1.00000
F7 F 0.43127 0.75815 0.91295 1.00000
F8 F 0.56873 0.24185 0.08705 1.00000
F9 F 0.50000 0.50000 0.50000 1.00000
F10 F 0.00000 0.00000 0.00000 1.00000
F11 F 0.86438 0.78235 0.21765 1.00000
F12 F 0.13562 0.21765 0.78235 1.00000
F13 F 0.63562 0.28235 0.71765 1.00000
F14 F 0.36438 0.71765 0.28235 1.00000
F15 F 0.44557 0.00612 0.27202 1.00000
F16 F 0.55443 0.99388 0.72798 1.00000
F17 F 0.27629 0.27202 0.00612 1.00000
F18 F 0.05443 0.22798 0.49388 1.00000
F19 F 0.72371 0.72798 0.99388 1.00000
F20 F 0.94557 0.77202 0.50612 1.00000
F21 F 0.22371 0.49388 0.22798 1.00000
F22 F 0.77629 0.50612 0.77202 1.00000
