Be2BOs
Alexandria ALEXAlex-ID: agm005772863 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7576_spg15
BeB2 B3Os2 Be3Os
2023-07-11 19:31:11.211213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772863).
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 agm005772863
data_agm005772863
_cell_length_a 4.09603
_cell_length_b 4.08917
_cell_length_c 5.22960
_cell_angle_alpha 66.98554
_cell_angle_beta 79.39325
_cell_angle_gamma 61.91351
_cell_volume 71.12651
_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 0.60817 0.40570 0.83276 1.00000
Be2 Be 0.89183 0.76154 0.83276 1.00000
Be3 Be 0.39183 0.59430 0.16724 1.00000
Be4 Be 0.10817 0.23846 0.16724 1.00000
B1 B 0.25000 0.74715 0.50571 1.00000
B2 B 0.75000 0.25285 0.49429 1.00000
Os1 Os 0.25000 0.15007 0.69985 1.00000
Os2 Os 0.75000 0.84993 0.30015 1.00000
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