Li2NpN3
Alexandria ALEXAlex-ID: agm005758938 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_425_spg71
Li3NpN3 Np4N7 LiN3
2023-08-22 07:36:14.970213
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758938).
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 agm005758938
data_agm005758938
_cell_length_a 3.35150
_cell_length_b 4.25491
_cell_length_c 9.51851
_cell_angle_alpha 90.00000
_cell_angle_beta 90.04497
_cell_angle_gamma 90.00000
_cell_volume 135.73693
_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
Li1 Li 0.49986 0.75027 0.84003 1.00000
Li2 Li 0.00014 0.24973 0.65997 1.00000
Li3 Li 0.50014 0.75027 0.15997 1.00000
Li4 Li 0.99986 0.24973 0.34003 1.00000
Np1 Np 0.50000 0.74970 0.50000 1.00000
Np2 Np 0.00000 0.25030 0.00000 1.00000
N1 N 0.50000 0.24967 0.50000 1.00000
N2 N 0.00000 0.75033 0.00000 1.00000
N3 N 0.00006 0.74972 0.36524 1.00000
N4 N 0.49994 0.25028 0.13476 1.00000
N5 N 0.99994 0.74972 0.63476 1.00000
N6 N 0.50006 0.25028 0.86524 1.00000
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