Be2Ir
Alexandria ALEXAlex-ID: agm005482041 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2148_spg12
Be2Ir
2023-03-18 06:58:21.090748
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005482041).
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 agm005482041
data_agm005482041
_cell_length_a 4.43555
_cell_length_b 4.43555
_cell_length_c 5.71627
_cell_angle_alpha 72.53831
_cell_angle_beta 72.53831
_cell_angle_gamma 36.67314
_cell_volume 63.72379
_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 0.03000 0.03000 0.71371 1.00000
Be2 Be 0.34401 0.34401 0.04619 1.00000
Be3 Be 0.65599 0.65599 0.95381 1.00000
Be4 Be 0.97000 0.97000 0.28629 1.00000
Ir1 Ir 0.67590 0.67590 0.34968 1.00000
Ir2 Ir 0.32410 0.32410 0.65032 1.00000
