NaP2N3
Alexandria ALEXAlex-ID: agm003424331 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1455_spg11
NaPN2 NaP7 Na3P6N11
2022-02-13 18:53:08.138699
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003424331).
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 agm003424331
data_agm003424331
_cell_length_a 3.81563
_cell_length_b 4.63710
_cell_length_c 7.49248
_cell_angle_alpha 78.04508
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 129.69263
_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 0.25000 0.54099 0.88449 1.00000
Na2 Na 0.75000 0.45901 0.11551 1.00000
P1 P 0.25000 0.51627 0.36709 1.00000
P2 P 0.75000 0.48373 0.63291 1.00000
P3 P 0.75000 0.01796 0.85497 1.00000
P4 P 0.25000 0.98204 0.14503 1.00000
N1 N 0.75000 0.72331 0.76619 1.00000
N2 N 0.25000 0.27669 0.23381 1.00000
N3 N 0.75000 0.55363 0.40799 1.00000
N4 N 0.25000 0.44637 0.59201 1.00000
N5 N 0.25000 0.03578 0.91137 1.00000
N6 N 0.75000 0.96422 0.08863 1.00000
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