ZnN6
Alexandria ALEXAlex-ID: agm005243068 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_243_spg14
Zn3N2 N2
2023-05-11 19:49:17.881571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243068).
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 agm005243068
data_agm005243068
_cell_length_a 16.86944
_cell_length_b 3.50987
_cell_length_c 7.71238
_cell_angle_alpha 67.64467
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 422.32678
_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 0.08188 0.07129 0.40162 1.00000
Zn2 Zn 0.41812 0.07129 0.90162 1.00000
Zn3 Zn 0.91812 0.92871 0.59838 1.00000
Zn4 Zn 0.58188 0.92871 0.09838 1.00000
N1 N 0.13389 0.62424 0.33859 1.00000
N2 N 0.36611 0.62424 0.83859 1.00000
N3 N 0.86611 0.37576 0.66141 1.00000
N4 N 0.63389 0.37576 0.16141 1.00000
N5 N 0.19480 0.70982 0.24409 1.00000
N6 N 0.30520 0.70982 0.74409 1.00000
N7 N 0.80520 0.29018 0.75591 1.00000
N8 N 0.69480 0.29018 0.25591 1.00000
N9 N 0.25174 0.79210 0.15574 1.00000
N10 N 0.24826 0.79210 0.65574 1.00000
N11 N 0.74826 0.20790 0.84426 1.00000
N12 N 0.75174 0.20790 0.34426 1.00000
N13 N 0.03644 0.84567 0.66746 1.00000
N14 N 0.46356 0.84567 0.16746 1.00000
N15 N 0.96356 0.15433 0.33254 1.00000
N16 N 0.53644 0.15433 0.83254 1.00000
N17 N 0.06654 0.62514 0.81502 1.00000
N18 N 0.43346 0.62514 0.31502 1.00000
N19 N 0.93346 0.37486 0.18498 1.00000
N20 N 0.56654 0.37486 0.68498 1.00000
N21 N 0.09484 0.41851 0.95548 1.00000
N22 N 0.40516 0.41851 0.45548 1.00000
N23 N 0.90516 0.58149 0.04452 1.00000
N24 N 0.59484 0.58149 0.54452 1.00000
