FeCo3Ir
Alexandria ALEXAlex-ID: agm005757879 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5530_spg12
FeCo Fe3Ir8 Co
2023-07-03 20:01:28.179340
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757879).
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 agm005757879
data_agm005757879
_cell_length_a 3.60071
_cell_length_b 9.27826
_cell_length_c 8.13954
_cell_angle_alpha 151.35044
_cell_angle_beta 89.91953
_cell_angle_gamma 101.25872
_cell_volume 119.22585
_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
Fe1 Fe 0.54805 0.09670 0.94621 1.00000
Fe2 Fe 0.45195 0.90330 0.05379 1.00000
Co1 Co 0.85120 0.70222 0.65334 1.00000
Co2 Co 0.14880 0.29778 0.34666 1.00000
Co3 Co 0.64688 0.29387 0.84054 1.00000
Co4 Co 0.35312 0.70613 0.15946 1.00000
Co5 Co 0.94871 0.89697 0.54031 1.00000
Co6 Co 0.05129 0.10303 0.45969 1.00000
Ir1 Ir 0.24904 0.49831 0.24774 1.00000
Ir2 Ir 0.75096 0.50169 0.75226 1.00000
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