GeH2F6
Alexandria ALEXAlex-ID: agm005684643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1049_spg15
GeF4 HF
2023-07-07 07:59:08.422334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684643).
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 agm005684643
data_agm005684643
_cell_length_a 4.20933
_cell_length_b 8.22106
_cell_length_c 8.22106
_cell_angle_alpha 78.92275
_cell_angle_beta 76.13426
_cell_angle_gamma 76.13426
_cell_volume 265.40007
_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
Ge1 Ge 0.25000 0.21571 0.78429 1.00000
Ge2 Ge 0.75000 0.78429 0.21571 1.00000
H1 H 0.99184 0.70771 0.72902 1.00000
H2 H 0.50816 0.27098 0.29229 1.00000
H3 H 0.00816 0.29229 0.27098 1.00000
H4 H 0.49184 0.72902 0.70771 1.00000
F1 F 0.28641 0.77629 0.65948 1.00000
F2 F 0.21359 0.34052 0.22371 1.00000
F3 F 0.71359 0.22371 0.34052 1.00000
F4 F 0.78641 0.65948 0.77629 1.00000
F5 F 0.91184 0.76970 0.39143 1.00000
F6 F 0.58816 0.60857 0.23030 1.00000
F7 F 0.08816 0.23030 0.60857 1.00000
F8 F 0.41184 0.39143 0.76970 1.00000
F9 F 0.05740 0.79660 0.03699 1.00000
F10 F 0.44260 0.96301 0.20340 1.00000
F11 F 0.94260 0.20340 0.96301 1.00000
F12 F 0.55740 0.03699 0.79660 1.00000
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