V2HgF8
Alexandria ALEXAlex-ID: agm005998158 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
VHgF6 HgF VF3
2023-10-17 12:31:31.148287
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998158).
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 agm005998158
data_agm005998158
_cell_length_a 4.04767
_cell_length_b 6.89143
_cell_length_c 6.89203
_cell_angle_alpha 120.00586
_cell_angle_beta 90.00035
_cell_angle_gamma 90.00420
_cell_volume 166.48166
_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
F1 F 0.24205 0.66664 0.33329 1.00000
F2 F 0.75795 0.33336 0.66669 1.00000
F3 F 0.74329 0.82299 0.17444 1.00000
F4 F 0.25670 0.17447 0.35148 1.00000
F5 F 0.25680 0.64859 0.82303 1.00000
F6 F 0.25671 0.17701 0.82554 1.00000
F7 F 0.74331 0.82554 0.64850 1.00000
F8 F 0.74320 0.35141 0.17695 1.00000
Hg1 Hg 1.00000 1.00000 0.99999 1.00000
V1 V 0.26120 0.33335 0.66669 1.00000
V2 V 0.73880 0.66665 0.33330 1.00000
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