MgBeIr
Alexandria ALEXAlex-ID: agm005663072 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1865_spg46
Mg(BeIr)2 Mg3Ir Be2Ir
2023-06-16 22:00:02.378985
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663072).
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 agm005663072
data_agm005663072
_cell_length_a 4.81105
_cell_length_b 4.81105
_cell_length_c 4.81105
_cell_angle_alpha 96.91636
_cell_angle_beta 110.52813
_cell_angle_gamma 121.93201
_cell_volume 81.68753
_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
Mg1 Mg 0.25000 0.12688 0.37688 1.00000
Mg2 Mg 0.75000 0.87312 0.62312 1.00000
Be1 Be 0.50000 0.00000 0.00000 1.00000
Be2 Be 0.00000 0.50000 0.00000 1.00000
Ir1 Ir 0.00000 0.50000 0.50000 1.00000
Ir2 Ir 0.50000 0.50000 0.00000 1.00000
Get direct link