Fe4Mo2N
Alexandria ALEXAlex-ID: agm005252268 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_146_spg227
MoN Fe3Mo3N Fe
2023-05-11 19:39:46.187757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005252268).
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 agm005252268
data_agm005252268
_cell_length_a 7.69727
_cell_length_b 7.69727
_cell_length_c 7.69727
_cell_angle_alpha 119.57357
_cell_angle_beta 119.57357
_cell_angle_gamma 90.74019
_cell_volume 324.52307
_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 0.12421 0.37182 0.24761 1.00000
Fe2 Fe 0.12340 0.87579 0.24761 1.00000
Fe3 Fe 0.62818 0.87579 0.75239 1.00000
Fe4 Fe 0.12421 0.87660 0.75239 1.00000
Fe5 Fe 0.91891 0.75769 0.83877 1.00000
Fe6 Fe 0.91986 0.08109 0.83877 1.00000
Fe7 Fe 0.24231 0.08109 0.16123 1.00000
Fe8 Fe 0.91891 0.08014 0.16123 1.00000
Fe9 Fe 0.33522 0.99982 0.66460 1.00000
Fe10 Fe 0.32938 0.66478 0.66460 1.00000
Fe11 Fe 0.00018 0.66478 0.33540 1.00000
Fe12 Fe 0.33522 0.67062 0.33540 1.00000
Fe13 Fe 0.69632 0.69632 0.39265 1.00000
Fe14 Fe 0.30368 0.30368 0.60735 1.00000
Fe15 Fe 0.30368 0.69632 0.00000 1.00000
Fe16 Fe 0.69632 0.30368 0.00000 1.00000
Mo1 Mo 0.30759 0.30759 0.00000 1.00000
Mo2 Mo 0.69241 0.69241 0.00000 1.00000
Mo3 Mo 0.55217 0.05217 0.10435 1.00000
Mo4 Mo 0.94783 0.44783 0.89565 1.00000
Mo5 Mo 0.94783 0.05217 0.50000 1.00000
Mo6 Mo 0.55217 0.44783 0.50000 1.00000
Mo7 Mo 0.94689 0.44689 0.50000 1.00000
Mo8 Mo 0.55311 0.05311 0.50000 1.00000
N1 N 0.61686 0.86294 0.24608 1.00000
N2 N 0.62922 0.38314 0.24608 1.00000
N3 N 0.13706 0.38314 0.75392 1.00000
N4 N 0.61686 0.37078 0.75392 1.00000
