Ir5Rh6
Alexandria ALEXAlex-ID: agm040343092 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B6_66_spg12
Ir3Rh4 Ir4Rh3
2024-11-13 13:00:31.179811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040343092).
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
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# CIF generated by HEAS from Alexandria entry agm040343092
data_agm040343092
_cell_length_a 4.71737
_cell_length_b 6.09924
_cell_length_c 6.09550
_cell_angle_alpha 107.51597
_cell_angle_beta 104.86073
_cell_angle_gamma 97.44506
_cell_volume 157.53622
_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 0.54385 0.90919 0.18228 1.00000
Ir2 Ir 0.45615 0.09081 0.81772 1.00000
Ir3 Ir 0.00000 0.00000 0.00000 1.00000
Ir4 Ir 0.63530 0.72555 0.54566 1.00000
Ir5 Ir 0.36470 0.27445 0.45434 1.00000
Rh1 Rh 0.90881 0.17912 0.63630 1.00000
Rh2 Rh 0.81759 0.36037 0.27216 1.00000
Rh3 Rh 0.09119 0.82088 0.36370 1.00000
Rh4 Rh 0.18241 0.63963 0.72784 1.00000
Rh5 Rh 0.27543 0.45523 0.09307 1.00000
Rh6 Rh 0.72457 0.54477 0.90693 1.00000
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