Ir6Ru5Rh2
Alexandria ALEXAlex-ID: agm005649037 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_66_spg55
Ir2Rh5 Ir3Rh4 IrRu
2023-06-20 18:40:56.161984
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649037).
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 agm005649037
data_agm005649037
_cell_length_a 2.71523
_cell_length_b 8.88144
_cell_length_c 15.82545
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 381.63373
_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 0.00000 0.07822 0.36836 1.00000
Ir2 Ir 0.00000 0.92178 0.63164 1.00000
Ir3 Ir 0.00000 0.57822 0.13164 1.00000
Ir4 Ir 0.00000 0.42178 0.86836 1.00000
Ir5 Ir 0.50000 0.31444 0.13162 1.00000
Ir6 Ir 0.50000 0.68556 0.86838 1.00000
Ir7 Ir 0.50000 0.81444 0.36838 1.00000
Ir8 Ir 0.50000 0.18556 0.63162 1.00000
Ir9 Ir 0.00000 0.56004 0.42293 1.00000
Ir10 Ir 0.00000 0.43996 0.57707 1.00000
Ir11 Ir 0.00000 0.06004 0.07707 1.00000
Ir12 Ir 0.00000 0.93996 0.92293 1.00000
Ru1 Ru 0.50000 0.29866 0.45101 1.00000
Ru2 Ru 0.50000 0.70134 0.54899 1.00000
Ru3 Ru 0.50000 0.79866 0.04899 1.00000
Ru4 Ru 0.50000 0.20134 0.95101 1.00000
Ru5 Ru 0.50000 0.58211 0.27434 1.00000
Ru6 Ru 0.50000 0.41789 0.72566 1.00000
Ru7 Ru 0.50000 0.08211 0.22566 1.00000
Ru8 Ru 0.50000 0.91789 0.77434 1.00000
Ru9 Ru 0.50000 0.50000 0.00000 1.00000
Ru10 Ru 0.50000 0.00000 0.50000 1.00000
Rh1 Rh 0.00000 0.33166 0.29148 1.00000
Rh2 Rh 0.00000 0.66834 0.70852 1.00000
Rh3 Rh 0.00000 0.83166 0.20852 1.00000
Rh4 Rh 0.00000 0.16834 0.79148 1.00000
