Be3Si2
Alexandria ALEXAlex-ID: agm005508383 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_675_spg43
Si Be
2023-03-19 16:54:05.622094
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508383).
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
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# CIF generated by HEAS from Alexandria entry agm005508383
data_agm005508383
_cell_length_a 11.58633
_cell_length_b 10.85024
_cell_length_c 4.40605
_cell_angle_alpha 88.26326
_cell_angle_beta 69.39655
_cell_angle_gamma 22.34020
_cell_volume 110.02816
_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 0.32665 0.48351 0.69437 1.00000
Be2 Be 0.49546 0.69437 0.48351 1.00000
Be3 Be 0.76649 0.92335 0.75454 1.00000
Be4 Be 0.55563 0.75454 0.92335 1.00000
Be5 Be 0.91927 0.08073 0.08073 1.00000
Be6 Be 0.16927 0.33073 0.33073 1.00000
Si1 Si 0.32926 0.55650 0.18488 1.00000
Si2 Si 0.92936 0.18488 0.55650 1.00000
Si3 Si 0.69350 0.92074 0.32064 1.00000
Si4 Si 0.06512 0.32064 0.92074 1.00000
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