MgIrBr
Alexandria ALEXAlex-ID: agm003098147 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_143_spg164
Mg2Ir3 MgIr3 MgBr2
2023-03-26 05:42:33.299419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003098147).
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 agm003098147
data_agm003098147
_cell_length_a 3.83366
_cell_length_b 11.34061
_cell_length_c 4.25817
_cell_angle_alpha 81.39357
_cell_angle_beta 62.86847
_cell_angle_gamma 71.72095
_cell_volume 156.43902
_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 0.21076 0.91677 0.28812 1.00000
Mg2 Mg 0.58952 0.54818 0.21445 1.00000
Ir1 Ir 0.05461 0.72978 0.94373 1.00000
Ir2 Ir 0.74494 0.73535 0.56074 1.00000
Br1 Br 0.74886 0.05451 0.95886 1.00000
Br2 Br 0.05058 0.41066 0.54536 1.00000
