Co4Ir8Ru
Alexandria ALEXAlex-ID: agm097667010 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1199_spg1
Ir7Ru Co Ir
2025-06-13 00:18:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097667010).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm097667010
data_agm097667010
_cell_length_a 7.12906
_cell_length_b 4.21282
_cell_length_c 7.12173
_cell_angle_alpha 90.00000
_cell_angle_beta 120.05907
_cell_angle_gamma 90.00000
_cell_volume 185.12417
_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 0.03172 0.00000 0.10594 1.00000
Co2 Co 0.61624 0.00000 0.97155 1.00000
Co3 Co 0.31561 0.00000 0.53167 1.00000
Co4 Co 0.90036 0.00000 0.39208 1.00000
Ir1 Ir 0.84868 0.50000 0.15536 1.00000
Ir2 Ir 0.26706 0.50000 0.29172 1.00000
Ir3 Ir 0.55512 0.50000 0.72968 1.00000
Ir4 Ir 0.71206 0.50000 0.44150 1.00000
Ir5 Ir 0.13585 0.50000 0.59141 1.00000
Ir6 Ir 0.46051 0.00000 0.23967 1.00000
Ir7 Ir 0.75631 0.00000 0.68533 1.00000
Ir8 Ir 0.40339 0.50000 0.99747 1.00000
Ru1 Ru 0.99708 0.50000 0.86661 1.00000
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