CoReIr
Alexandria ALEXAlex-ID: agm005677092 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_230_spg8
ReIr Co
2023-06-19 08:34:14.512843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677092).
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 agm005677092
data_agm005677092
_cell_length_a 5.95251
_cell_length_b 4.66334
_cell_length_c 3.75017
_cell_angle_alpha 66.25040
_cell_angle_beta 71.59377
_cell_angle_gamma 58.60896
_cell_volume 80.58555
_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 0.65342 0.56701 0.16328 1.00000
Co2 Co 0.82627 0.10212 0.81021 1.00000
Re1 Re 0.34062 0.57393 0.81625 1.00000
Re2 Re 0.13908 0.09520 0.15724 1.00000
Ir1 Ir 0.49301 0.07753 0.48834 1.00000
Ir2 Ir 0.98669 0.59160 0.48515 1.00000
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