Cr3Ir4Rh3
Alexandria ALEXAlex-ID: agm005687835 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_22_spg38
Cr2IrRh5 CrIr3 CrIr
2023-06-29 08:20:53.317741
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687835).
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 agm005687835
data_agm005687835
_cell_length_a 2.70954
_cell_length_b 7.26552
_cell_length_c 7.26551
_cell_angle_alpha 91.73871
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 142.96456
_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
Cr1 Cr 0.50000 0.82768 0.17232 1.00000
Cr2 Cr 0.50000 0.33582 0.33026 1.00000
Cr3 Cr 0.50000 0.66974 0.66418 1.00000
Ir1 Ir 0.00000 0.63019 0.36981 1.00000
Ir2 Ir 0.00000 0.37953 0.62047 1.00000
Ir3 Ir 0.00000 0.86122 0.87652 1.00000
Ir4 Ir 0.00000 0.12348 0.13878 1.00000
Rh1 Rh 0.00000 0.50687 0.00373 1.00000
Rh2 Rh 0.00000 0.99627 0.49313 1.00000
Rh3 Rh 0.50000 0.16920 0.83080 1.00000
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