HgWF5
Alexandria ALEXAlex-ID: agm005779448 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_496_spg74
WF4 WF6 Hg
2023-07-14 06:39:14.725548
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779448).
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 agm005779448
data_agm005779448
_cell_length_a 7.01048
_cell_length_b 7.01048
_cell_length_c 7.77383
_cell_angle_alpha 56.42671
_cell_angle_beta 56.42671
_cell_angle_gamma 75.19937
_cell_volume 264.52156
_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 0.26704 0.23296 0.25000 1.00000
Hg2 Hg 0.73296 0.76704 0.75000 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
W2 W 0.50000 0.50000 0.50000 1.00000
F1 F 0.99943 0.00110 0.25613 1.00000
F2 F 0.33344 0.78187 0.44334 1.00000
F3 F 0.50110 0.49943 0.75613 1.00000
F4 F 0.82404 0.67596 0.25000 1.00000
F5 F 0.71813 0.16656 0.05666 1.00000
F6 F 0.28187 0.83344 0.94334 1.00000
F7 F 0.17596 0.32404 0.75000 1.00000
F8 F 0.49890 0.50057 0.24387 1.00000
F9 F 0.66656 0.21813 0.55666 1.00000
F10 F 0.00057 0.99890 0.74387 1.00000
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