V3(FeCo3)2
Alexandria ALEXAlex-ID: agm003348871 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_168_spg139
V6FeCo VFe3 VCo3
2022-02-02 20:19:25.755912
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003348871).
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 agm003348871
data_agm003348871
_cell_length_a 3.22534
_cell_length_b 3.22534
_cell_length_c 13.14712
_cell_angle_alpha 97.04583
_cell_angle_beta 97.04583
_cell_angle_gamma 90.00000
_cell_volume 134.69319
_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
V1 V 0.00000 0.00000 0.00000 1.00000
V2 V 0.82884 0.82884 0.65768 1.00000
V3 V 0.17116 0.17116 0.34232 1.00000
Fe1 Fe 0.36150 0.36150 0.72300 1.00000
Fe2 Fe 0.63850 0.63850 0.27700 1.00000
Co1 Co 0.07093 0.57093 0.14185 1.00000
Co2 Co 0.57093 0.07093 0.14185 1.00000
Co3 Co 0.92907 0.42907 0.85815 1.00000
Co4 Co 0.42907 0.92907 0.85815 1.00000
Co5 Co 0.73010 0.73010 0.46021 1.00000
Co6 Co 0.26990 0.26990 0.53979 1.00000
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