Cu4Ir2Rh3
Alexandria ALEXAlex-ID: agm012596985 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_9_spg12
Ir3Rh4 Ir2Rh5 Cu
2024-05-28 21:44:55.018869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012596985).
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 agm012596985
data_agm012596985
_cell_length_a 7.00509
_cell_length_b 7.00509
_cell_length_c 7.22581
_cell_angle_alpha 65.03579
_cell_angle_beta 65.03579
_cell_angle_gamma 22.36317
_cell_volume 121.78565
_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
Cu1 Cu 0.52450 0.52450 0.66433 1.00000
Cu2 Cu 0.47550 0.47550 0.33567 1.00000
Cu3 Cu 0.81333 0.81333 0.34073 1.00000
Cu4 Cu 0.18667 0.18667 0.65927 1.00000
Ir1 Ir 0.66656 0.66656 0.99695 1.00000
Ir2 Ir 0.33344 0.33344 0.00305 1.00000
Rh1 Rh 0.85612 0.85612 0.66866 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Rh3 Rh 0.14388 0.14388 0.33134 1.00000
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