Be2As3
Alexandria ALEXAlex-ID: agm005506151 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_535_spg43
Be3As2 As
2023-03-19 17:06:15.825994
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506151).
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 agm005506151
data_agm005506151
_cell_length_a 8.14135
_cell_length_b 6.99328
_cell_length_c 6.41320
_cell_angle_alpha 74.64403
_cell_angle_beta 55.92623
_cell_angle_gamma 49.42974
_cell_volume 226.84636
_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 0.56131 0.27724 0.84560 1.00000
Be2 Be 0.31586 0.84560 0.27724 1.00000
Be3 Be 0.40440 0.93414 0.68869 1.00000
Be4 Be 0.97276 0.68869 0.93414 1.00000
As1 As 0.59303 0.83968 0.27433 1.00000
As2 As 0.29296 0.27433 0.83968 1.00000
As3 As 0.97567 0.95704 0.65697 1.00000
As4 As 0.41032 0.65697 0.95704 1.00000
As5 As 0.23685 0.26315 0.26315 1.00000
As6 As 0.98685 0.01315 0.01315 1.00000
Get direct link