Co3(IrRu)2
Alexandria ALEXAlex-ID: agm010072292 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_532_spg12
IrRu Co
2024-03-11 16:24:48.530534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010072292).
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 agm010072292
data_agm010072292
_cell_length_a 5.80512
_cell_length_b 5.80512
_cell_length_c 6.46089
_cell_angle_alpha 68.65374
_cell_angle_beta 68.65374
_cell_angle_gamma 26.38104
_cell_volume 89.72945
_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
Co1 Co 0.00000 0.00000 0.50000 1.00000
Co2 Co 0.57071 0.57071 0.77665 1.00000
Co3 Co 0.42929 0.42929 0.22335 1.00000
Ir1 Ir 0.86393 0.86393 0.93184 1.00000
Ir2 Ir 0.13607 0.13607 0.06816 1.00000
Ru1 Ru 0.71204 0.71204 0.36052 1.00000
Ru2 Ru 0.28796 0.28796 0.63948 1.00000
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