Na3FeN8
Alexandria ALEXAlex-ID: agm003588846 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_198_spg121
Na2Fe2N3 FeN NaN3
2022-04-03 16:22:24.962762
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003588846).
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 agm003588846
data_agm003588846
_cell_length_a 6.29146
_cell_length_b 6.29146
_cell_length_c 6.29146
_cell_angle_alpha 86.56971
_cell_angle_beta 121.99985
_cell_angle_gamma 121.99985
_cell_volume 170.43661
_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
Na1 Na 0.50000 0.75000 0.25000 1.00000
Na2 Na 0.50000 0.25000 0.75000 1.00000
Na3 Na 0.00000 0.50000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
N1 N 0.44226 0.19590 0.19590 1.00000
N2 N 0.55774 0.75364 0.75364 1.00000
N3 N 1.00000 0.80410 0.24636 1.00000
N4 N 1.00000 0.24636 0.80410 1.00000
N5 N 0.42902 0.32116 0.32116 1.00000
N6 N 0.57098 0.89214 0.89214 1.00000
N7 N 0.00000 0.67884 0.10786 1.00000
N8 N 0.00000 0.10786 0.67884 1.00000
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