Mn2Co2Ir
Alexandria ALEXAlex-ID: agm002932707 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
Mn3Ir Mn5Ir3 Co
2023-03-26 06:22:47.613952
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002932707).
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 agm002932707
data_agm002932707
_cell_length_a 3.49762
_cell_length_b 3.49762
_cell_length_c 5.55227
_cell_angle_alpha 71.64085
_cell_angle_beta 71.64085
_cell_angle_gamma 90.00000
_cell_volume 60.81214
_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
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.75000 0.25000 0.50000 1.00000
Co2 Co 0.25000 0.75000 0.50000 1.00000
Mn1 Mn 0.39970 0.39970 0.20059 1.00000
Mn2 Mn 0.60030 0.60030 0.79941 1.00000
