Fe2Co3N4
Alexandria ALEXAlex-ID: agm005256249 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_14_spg15
FeCoN2 Co
2023-05-07 15:23:42.309750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005256249).
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 agm005256249
data_agm005256249
_cell_length_a 5.51291
_cell_length_b 5.51291
_cell_length_c 5.50731
_cell_angle_alpha 86.46559
_cell_angle_beta 86.46559
_cell_angle_gamma 75.83247
_cell_volume 161.79162
_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 0.83453 0.55249 0.66215 1.00000
Fe2 Fe 0.44751 0.16547 0.83785 1.00000
Fe3 Fe 0.16547 0.44751 0.33785 1.00000
Fe4 Fe 0.55249 0.83453 0.16215 1.00000
Co1 Co 0.98102 0.77764 0.00298 1.00000
Co2 Co 0.22236 0.01898 0.49702 1.00000
Co3 Co 0.01898 0.22236 0.99702 1.00000
Co4 Co 0.77764 0.98102 0.50298 1.00000
Co5 Co 0.35316 0.64684 0.75000 1.00000
Co6 Co 0.64684 0.35316 0.25000 1.00000
N1 N 0.08346 0.72200 0.53468 1.00000
N2 N 0.27800 0.91654 0.96532 1.00000
N3 N 0.91654 0.27800 0.46532 1.00000
N4 N 0.72200 0.08346 0.03468 1.00000
N5 N 0.75539 0.56482 0.98981 1.00000
N6 N 0.43518 0.24461 0.51019 1.00000
N7 N 0.24461 0.43518 0.01019 1.00000
N8 N 0.56482 0.75539 0.48981 1.00000
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