HgF2
Alexandria ALEXAlex-ID: agm073364136 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_7606_spg12
HgF2
2025-01-04 05:01:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073364136).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm073364136
data_agm073364136
_cell_length_a 3.72297
_cell_length_b 6.42509
_cell_length_c 7.30906
_cell_angle_alpha 96.05240
_cell_angle_beta 102.30329
_cell_angle_gamma 90.40837
_cell_volume 169.78957
_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 0.72062 0.74911 0.23313 1.00000
Hg2 Hg 0.44454 0.99877 0.67265 1.00000
Hg3 Hg 0.99727 0.49969 0.79361 1.00000
F1 F 0.12593 0.54444 0.13667 1.00000
F2 F 0.01501 0.14096 0.84210 1.00000
F3 F 0.42630 0.35745 0.62422 1.00000
F4 F 0.31530 0.95380 0.32957 1.00000
F5 F 0.90518 0.76463 0.57398 1.00000
F6 F 0.53751 0.73387 0.89229 1.00000
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