BeF2
Alexandria ALEXAlex-ID: agm081801351 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_3385_spg15
BeF2
2025-02-28 11:30:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081801351).
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 agm081801351
data_agm081801351
_cell_length_a 4.89448
_cell_length_b 6.73481
_cell_length_c 6.73273
_cell_angle_alpha 89.96781
_cell_angle_beta 111.02332
_cell_angle_gamma 111.03520
_cell_volume 191.25034
_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 0.65186 0.94994 0.10012 1.00000
Be2 Be 0.34683 0.46675 0.98329 1.00000
Be3 Be 0.65201 0.26680 0.78328 1.00000
Be4 Be 0.34673 0.14994 0.30009 1.00000
F1 F 0.99383 0.05682 0.27756 1.00000
F2 F 0.63834 0.06097 0.89424 1.00000
F3 F 0.57140 0.70761 0.04091 1.00000
F4 F 0.40955 0.35269 0.81153 1.00000
F5 F 0.41447 0.35850 0.19189 1.00000
F6 F 0.99394 0.44412 0.89036 1.00000
F7 F 0.40932 0.97827 0.18585 1.00000
F8 F 0.57169 0.20761 0.54090 1.00000
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