BiH2F6
Alexandria ALEXAlex-ID: agm005685362 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2434_spg2
Bi3F11 BiH7F12 HF
2023-07-07 11:37:34.760887
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685362).
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 agm005685362
data_agm005685362
_cell_length_a 4.37393
_cell_length_b 12.97025
_cell_length_c 9.37614
_cell_angle_alpha 58.32098
_cell_angle_beta 44.12033
_cell_angle_gamma 48.18717
_cell_volume 274.88447
_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
Bi1 Bi 0.90917 0.86797 0.23014 1.00000
Bi2 Bi 0.09083 0.13203 0.76986 1.00000
H1 H 0.59213 0.38115 0.31139 1.00000
H2 H 0.86926 0.61020 0.72330 1.00000
H3 H 0.40787 0.61885 0.68861 1.00000
H4 H 0.13074 0.38980 0.27670 1.00000
F1 F 0.72600 0.36058 0.38024 1.00000
F2 F 0.58985 0.59713 0.79157 1.00000
F3 F 0.27400 0.63942 0.61976 1.00000
F4 F 0.41015 0.40287 0.20843 1.00000
F5 F 0.60724 0.10901 0.45785 1.00000
F6 F 0.66938 0.34446 0.76705 1.00000
F7 F 0.39276 0.89099 0.54215 1.00000
F8 F 0.33062 0.65554 0.23295 1.00000
F9 F 0.55841 0.12344 0.80202 1.00000
F10 F 0.37213 0.90244 0.88119 1.00000
F11 F 0.44159 0.87656 0.19798 1.00000
F12 F 0.62787 0.09756 0.11881 1.00000
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