Zn3(FeN2)2
Alexandria ALEXAlex-ID: agm005280196 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_184_spg15
FeN Zn3N2
2023-05-07 15:23:47.150799
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005280196).
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 agm005280196
data_agm005280196
_cell_length_a 6.12716
_cell_length_b 6.12716
_cell_length_c 5.18057
_cell_angle_alpha 88.76516
_cell_angle_beta 88.76516
_cell_angle_gamma 86.49567
_cell_volume 194.04057
_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
Zn1 Zn 0.02824 0.74556 0.57718 1.00000
Zn2 Zn 0.25444 0.97176 0.92282 1.00000
Zn3 Zn 0.97176 0.25444 0.42282 1.00000
Zn4 Zn 0.74556 0.02824 0.07718 1.00000
Zn5 Zn 0.38372 0.61628 0.25000 1.00000
Zn6 Zn 0.61628 0.38372 0.75000 1.00000
Fe1 Fe 0.84192 0.59465 0.12221 1.00000
Fe2 Fe 0.40535 0.15808 0.37779 1.00000
Fe3 Fe 0.15808 0.40535 0.87779 1.00000
Fe4 Fe 0.59465 0.84192 0.62221 1.00000
N1 N 0.10518 0.69527 0.99110 1.00000
N2 N 0.30473 0.89482 0.50890 1.00000
N3 N 0.89482 0.30473 0.00890 1.00000
N4 N 0.69527 0.10518 0.49110 1.00000
N5 N 0.75289 0.61360 0.46851 1.00000
N6 N 0.38640 0.24711 0.03149 1.00000
N7 N 0.24711 0.38640 0.53149 1.00000
N8 N 0.61360 0.75289 0.96851 1.00000
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