ReIr4Os
Alexandria ALEXAlex-ID: agm003736615 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_603_spg12
IrOs5 ReIr8 ReIr2
2022-04-18 21:37:42.403313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736615).
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 agm003736615
data_agm003736615
_cell_length_a 4.12599
_cell_length_b 4.43979
_cell_length_c 6.68378
_cell_angle_alpha 83.19320
_cell_angle_beta 72.02169
_cell_angle_gamma 62.31176
_cell_volume 103.07787
_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
Re1 Re 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.62565 0.63596 0.11274 1.00000
Ir2 Ir 0.37435 0.36404 0.88726 1.00000
Ir3 Ir 0.12341 0.14071 0.61248 1.00000
Ir4 Ir 0.87659 0.85929 0.38752 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Get direct link