Be2As
Alexandria ALEXAlex-ID: agm005459292 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_1761_spg12
Be3As2 Be
2023-03-18 06:51:53.490744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005459292).
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 agm005459292
data_agm005459292
_cell_length_a 5.18975
_cell_length_b 5.18975
_cell_length_c 5.05926
_cell_angle_alpha 70.05845
_cell_angle_beta 70.05845
_cell_angle_gamma 38.65030
_cell_volume 79.35246
_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 0.45337 0.45337 0.22685 1.00000
Be2 Be 0.10594 0.10594 0.04014 1.00000
Be3 Be 0.89406 0.89406 0.95986 1.00000
Be4 Be 0.54663 0.54663 0.77315 1.00000
As1 As 0.67032 0.67032 0.30539 1.00000
As2 As 0.32968 0.32968 0.69461 1.00000
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