Ir4Ru6Rh
Alexandria ALEXAlex-ID: agm006103192 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_73_spg8
Ir2Rh5 IrRu3 IrRu
2023-10-08 05:13:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006103192).
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 agm006103192
data_agm006103192
_cell_length_a 7.32857
_cell_length_b 7.32857
_cell_length_c 7.32857
_cell_angle_alpha 60.22222
_cell_angle_beta 138.44495
_cell_angle_gamma 138.44495
_cell_volume 171.38892
_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 0.63910 0.03494 1.00000
Ir2 Ir 0.39584 0.36090 0.36090 1.00000
Ir3 Ir 0.00000 0.03494 0.63910 1.00000
Ir4 Ir 0.60416 0.96506 0.96506 1.00000
Ru1 Ru 0.00000 0.82928 0.45711 1.00000
Ru2 Ru 0.00000 0.45711 0.82928 1.00000
Ru3 Ru 0.37217 0.54289 0.54289 1.00000
Ru4 Ru 0.50000 0.50000 0.00000 1.00000
Ru5 Ru 0.62783 0.17072 0.17072 1.00000
Ru6 Ru 0.50000 0.00000 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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