Ir5Os2Ru5
Alexandria ALEXAlex-ID: agm005663012 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
IrOs5 IrRu3 IrRu
2023-06-19 06:10:05.568474
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663012).
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 agm005663012
data_agm005663012
_cell_length_a 3.84024
_cell_length_b 6.08648
_cell_length_c 8.15872
_cell_angle_alpha 72.73288
_cell_angle_beta 76.38800
_cell_angle_gamma 71.61064
_cell_volume 170.67853
_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
Ir1 Ir 0.83566 0.82884 0.49983 1.00000
Ir2 Ir 0.25151 0.74562 0.75136 1.00000
Ir3 Ir 0.74849 0.25438 0.24864 1.00000
Ir4 Ir 0.16434 0.17116 0.50017 1.00000
Ir5 Ir 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.91699 0.41491 0.75110 1.00000
Os2 Os 0.08301 0.58509 0.24890 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
Ru2 Ru 0.33349 0.33428 0.99875 1.00000
Ru3 Ru 0.41968 0.91066 0.24997 1.00000
Ru4 Ru 0.58032 0.08934 0.75003 1.00000
Ru5 Ru 0.66651 0.66572 0.00125 1.00000
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