Cr2Ir4Rh3
Alexandria ALEXAlex-ID: agm005667730 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_298_spg12
Cr2IrRh5 CrIrRh4 CrIr3
2023-06-30 19:36:34.481452
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667730).
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 agm005667730
data_agm005667730
_cell_length_a 3.82772
_cell_length_b 4.66543
_cell_length_c 8.10235
_cell_angle_alpha 73.35180
_cell_angle_beta 89.99194
_cell_angle_gamma 65.79917
_cell_volume 125.29887
_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 0.33426 0.33175 0.78143 1.00000
Cr2 Cr 0.66574 0.66825 0.21857 1.00000
Ir1 Ir 0.66405 0.67124 0.88914 1.00000
Ir2 Ir 0.99870 0.00224 0.33211 1.00000
Ir3 Ir 0.00130 0.99776 0.66789 1.00000
Ir4 Ir 0.33595 0.32876 0.11086 1.00000
Rh1 Rh 0.32995 0.34005 0.44295 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Rh3 Rh 0.67005 0.65995 0.55705 1.00000
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