Be2H2F7
Alexandria ALEXAlex-ID: agm005570710 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_764_spg15
HF8 HF BeF2
2023-06-04 19:23:07.440010
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570710).
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 agm005570710
data_agm005570710
_cell_length_a 6.83649
_cell_length_b 6.83649
_cell_length_c 7.07851
_cell_angle_alpha 75.82353
_cell_angle_beta 75.82353
_cell_angle_gamma 108.79046
_cell_volume 284.13943
_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
Be1 Be 0.31205 0.11578 0.16651 1.00000
Be2 Be 0.11578 0.31205 0.66651 1.00000
Be3 Be 0.88422 0.68795 0.33349 1.00000
Be4 Be 0.68795 0.88422 0.83349 1.00000
H1 H 0.63038 0.81030 0.53082 1.00000
H2 H 0.18970 0.36962 0.96918 1.00000
H3 H 0.81030 0.63038 0.03082 1.00000
H4 H 0.36962 0.18970 0.46918 1.00000
F1 F 0.85939 0.51679 0.54290 1.00000
F2 F 0.25156 0.31957 0.10431 1.00000
F3 F 0.41965 0.13026 0.33625 1.00000
F4 F 0.10056 0.89944 0.25000 1.00000
F5 F 0.51679 0.85939 0.04290 1.00000
F6 F 0.31957 0.25156 0.60431 1.00000
F7 F 0.13026 0.41965 0.83625 1.00000
F8 F 0.86974 0.58035 0.16375 1.00000
F9 F 0.68043 0.74844 0.39569 1.00000
F10 F 0.48321 0.14061 0.95710 1.00000
F11 F 0.89944 0.10056 0.75000 1.00000
F12 F 0.58035 0.86974 0.66375 1.00000
F13 F 0.74844 0.68043 0.89569 1.00000
F14 F 0.14061 0.48321 0.45710 1.00000
