Ir3(OsRh2)2
Alexandria ALEXAlex-ID: agm005674603 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_842_spg2
Ir2Rh5 IrOs5 Ir3Rh4
2023-06-28 01:54:41.534672
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674603).
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 agm005674603
data_agm005674603
_cell_length_a 4.76363
_cell_length_b 6.99402
_cell_length_c 8.51069
_cell_angle_alpha 72.11176
_cell_angle_beta 73.77000
_cell_angle_gamma 90.05484
_cell_volume 257.91656
_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 0.05564 0.97173 0.71894 1.00000
Ir2 Ir 0.38300 0.30506 0.05867 1.00000
Ir3 Ir 0.94436 0.02827 0.28106 1.00000
Ir4 Ir 0.61700 0.69494 0.94133 1.00000
Ir5 Ir 0.27669 0.36018 0.61265 1.00000
Ir6 Ir 0.72331 0.63982 0.38735 1.00000
Os1 Os 0.60666 0.86300 0.61124 1.00000
Os2 Os 0.83073 0.41656 0.16491 1.00000
Os3 Os 0.39334 0.13700 0.38876 1.00000
Os4 Os 0.16927 0.58344 0.83509 1.00000
Rh1 Rh 0.50086 0.08060 0.83457 1.00000
Rh2 Rh 0.94757 0.19891 0.94102 1.00000
Rh3 Rh 0.49914 0.91940 0.16543 1.00000
Rh4 Rh 0.05243 0.80109 0.05898 1.00000
Rh5 Rh 0.16521 0.74859 0.50222 1.00000
Rh6 Rh 0.27894 0.52371 0.27963 1.00000
Rh7 Rh 0.83479 0.25141 0.49778 1.00000
Rh8 Rh 0.72106 0.47629 0.72037 1.00000
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