HgH6F8
Alexandria ALEXAlex-ID: agm072332233 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_120_spg148
HgF2 HF
2024-10-06 09:46:27.816720
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072332233).
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 agm072332233
data_agm072332233
_cell_length_a 5.37300
_cell_length_b 5.25903
_cell_length_c 6.48218
_cell_angle_alpha 84.67808
_cell_angle_beta 86.93594
_cell_angle_gamma 81.19738
_cell_volume 180.08420
_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
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
H1 H 0.56016 0.78419 0.84807 1.00000
H2 H 0.24665 0.50804 0.47405 1.00000
H3 H 0.49721 0.28136 0.64001 1.00000
H4 H 0.43984 0.21581 0.15193 1.00000
H5 H 0.75335 0.49196 0.52595 1.00000
H6 H 0.50279 0.71864 0.35999 1.00000
F1 F 0.38917 0.82263 0.78499 1.00000
F2 F 0.61083 0.17737 0.21501 1.00000
F3 F 0.20481 0.27743 0.07229 1.00000
F4 F 0.76038 0.64758 0.42826 1.00000
F5 F 0.32031 0.72518 0.33293 1.00000
F6 F 0.79519 0.72257 0.92771 1.00000
F7 F 0.23962 0.35242 0.57174 1.00000
F8 F 0.67969 0.27482 0.66707 1.00000
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