Mn3Fe3N5
Alexandria ALEXAlex-ID: agm005288028 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C5_118_spg2
MnFeN2 Fe3N Mn3FeN4
2023-05-09 06:14:45.615913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288028).
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 agm005288028
data_agm005288028
_cell_length_a 5.09610
_cell_length_b 5.91204
_cell_length_c 7.18977
_cell_angle_alpha 96.98478
_cell_angle_beta 101.61928
_cell_angle_gamma 95.13822
_cell_volume 209.14816
_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
Mn1 Mn 0.71903 0.74217 0.54710 1.00000
Mn2 Mn 0.28097 0.25783 0.45290 1.00000
Mn3 Mn 0.59576 0.97898 0.84036 1.00000
Mn4 Mn 0.40424 0.02102 0.15964 1.00000
Mn5 Mn 0.75273 0.36253 0.29567 1.00000
Mn6 Mn 0.24727 0.63747 0.70433 1.00000
Fe1 Fe 0.04535 0.30516 0.04609 1.00000
Fe2 Fe 0.95465 0.69484 0.95391 1.00000
Fe3 Fe 0.77980 0.36590 0.68277 1.00000
Fe4 Fe 0.22020 0.63410 0.31723 1.00000
Fe5 Fe 0.12512 0.07966 0.72171 1.00000
Fe6 Fe 0.87488 0.92034 0.27829 1.00000
N1 N 0.13249 0.39696 0.83015 1.00000
N2 N 0.86751 0.60304 0.16985 1.00000
N3 N 0.93787 0.21033 0.48868 1.00000
N4 N 0.06213 0.78967 0.51132 1.00000
N5 N 0.62663 0.64435 0.76519 1.00000
N6 N 0.37337 0.35565 0.23481 1.00000
N7 N 0.48525 0.15541 0.65878 1.00000
N8 N 0.51475 0.84459 0.34122 1.00000
N9 N 0.24491 0.89084 0.90814 1.00000
N10 N 0.75509 0.10916 0.09186 1.00000
