Fe3SbN
Alexandria ALEXAlex-ID: agm005507538 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6_spg140
Fe3N FeSb2 FeN
2023-03-20 11:48:54.537941
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507538).
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
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# CIF generated by HEAS from Alexandria entry agm005507538
data_agm005507538
_cell_length_a 5.44970
_cell_length_b 5.44970
_cell_length_c 5.44970
_cell_angle_alpha 119.69750
_cell_angle_beta 118.86673
_cell_angle_gamma 91.24945
_cell_volume 115.65130
_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 0.22897 0.72897 0.00000 1.00000
Fe2 Fe 0.77103 0.77103 0.50000 1.00000
Fe3 Fe 0.77103 0.27103 0.00000 1.00000
Fe4 Fe 0.22897 0.22897 0.50000 1.00000
Fe5 Fe 0.70099 0.25000 0.45099 1.00000
Fe6 Fe 0.29901 0.75000 0.54901 1.00000
Sb1 Sb 0.75147 0.75000 0.00147 1.00000
Sb2 Sb 0.24853 0.25000 0.99853 1.00000
N1 N 0.50000 0.00000 0.50000 1.00000
N2 N 0.00000 0.50000 0.50000 1.00000
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