Mn3(FeN2)2
Alexandria ALEXAlex-ID: agm006220105 · Space group: Pnna (#52)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_244_spg52
Mn3FeN4 Fe
2024-02-02 16:51:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006220105).
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 agm006220105
data_agm006220105
_cell_length_a 4.73712
_cell_length_b 7.12634
_cell_length_c 10.30228
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 347.78824
_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 0.58706 0.13899 0.45306 1.00000
Mn2 Mn 0.91294 0.86101 0.45306 1.00000
Mn3 Mn 0.58706 0.36101 0.04694 1.00000
Mn4 Mn 0.91294 0.63899 0.04694 1.00000
Mn5 Mn 0.41294 0.86101 0.54694 1.00000
Mn6 Mn 0.08706 0.13899 0.54694 1.00000
Mn7 Mn 0.41294 0.63899 0.95306 1.00000
Mn8 Mn 0.08706 0.36101 0.95306 1.00000
Mn9 Mn 0.75000 0.50000 0.50000 1.00000
Mn10 Mn 0.75000 0.00000 1.00000 1.00000
Mn11 Mn 0.25000 0.50000 0.50000 1.00000
Mn12 Mn 0.25000 0.00000 0.00000 1.00000
Fe1 Fe 0.75000 0.50000 0.74943 1.00000
Fe2 Fe 0.75000 0.00000 0.75057 1.00000
Fe3 Fe 0.25000 0.50000 0.25057 1.00000
Fe4 Fe 0.25000 0.00000 0.24943 1.00000
Fe5 Fe 0.29072 0.25000 0.75000 1.00000
Fe6 Fe 0.20928 0.75000 0.75000 1.00000
Fe7 Fe 0.70928 0.75000 0.25000 1.00000
Fe8 Fe 0.79072 0.25000 0.25000 1.00000
N1 N 0.00589 0.37976 0.61719 1.00000
N2 N 0.49411 0.62024 0.61719 1.00000
N3 N 0.00589 0.12024 0.88281 1.00000
N4 N 0.49411 0.87976 0.88281 1.00000
N5 N 0.99411 0.62024 0.38281 1.00000
N6 N 0.50589 0.37976 0.38281 1.00000
N7 N 0.99411 0.87976 0.11719 1.00000
N8 N 0.50589 0.12024 0.11719 1.00000
N9 N 0.48008 0.40299 0.87497 1.00000
N10 N 0.01992 0.59701 0.87497 1.00000
N11 N 0.48008 0.09701 0.62503 1.00000
N12 N 0.01992 0.90299 0.62503 1.00000
N13 N 0.51992 0.59701 0.12503 1.00000
N14 N 0.98008 0.40299 0.12503 1.00000
N15 N 0.51992 0.90299 0.37497 1.00000
N16 N 0.98008 0.09701 0.37497 1.00000
