Hg2H3F8
Alexandria ALEXAlex-ID: agm005647639 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_413_spg15
HgF3 HgF2 HF
2023-06-16 01:08:15.702491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647639).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005647639
data_agm005647639
_cell_length_a 5.00312
_cell_length_b 7.46472
_cell_length_c 13.64088
_cell_angle_alpha 120.31677
_cell_angle_beta 90.00013
_cell_angle_gamma 109.57971
_cell_volume 405.28577
_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 0.07677 0.47019 0.86828 1.00000
Hg2 Hg 0.60658 0.52981 0.63172 1.00000
Hg3 Hg 0.92323 0.52981 0.13172 1.00000
Hg4 Hg 0.39342 0.47019 0.36828 1.00000
H1 H 0.93751 0.00000 0.25000 1.00000
H2 H 0.06249 1.00000 0.75000 1.00000
H3 H 0.98566 0.27589 0.60039 1.00000
H4 H 0.70977 0.72411 0.89961 1.00000
H5 H 0.01434 0.72411 0.39961 1.00000
H6 H 0.29023 0.27589 0.10039 1.00000
F1 F 0.26540 0.67296 0.06674 1.00000
F2 F 0.59244 0.32704 0.43326 1.00000
F3 F 0.73460 0.32704 0.93326 1.00000
F4 F 0.40756 0.67296 0.56674 1.00000
F5 F 0.55211 0.36135 0.17942 1.00000
F6 F 0.19076 0.63865 0.32058 1.00000
F7 F 0.44789 0.63865 0.82058 1.00000
F8 F 0.80924 0.36135 0.67942 1.00000
F9 F 0.11355 0.23873 0.04842 1.00000
F10 F 0.87482 0.76127 0.45158 1.00000
F11 F 0.14392 0.15452 0.74217 1.00000
F12 F 0.98940 0.84548 0.75783 1.00000
F13 F 0.85608 0.84548 0.25783 1.00000
F14 F 0.01060 0.15452 0.24217 1.00000
F15 F 0.12518 0.23873 0.54842 1.00000
F16 F 0.88645 0.76127 0.95158 1.00000
