Y2NpN3
Alexandria ALEXAlex-ID: agm017456745 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2552_spg62
Y5NpN6 NpN
2025-04-14 05:12:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017456745).
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 agm017456745
data_agm017456745
_cell_length_a 4.91205
_cell_length_b 6.92328
_cell_length_c 10.37769
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 352.91891
_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
Y1 Y 0.25000 0.87610 0.74902 1.00000
Y2 Y 0.25000 0.37610 0.75098 1.00000
Y3 Y 0.25000 0.87443 0.41629 1.00000
Y4 Y 0.25000 0.37443 0.08371 1.00000
Y5 Y 0.75000 0.62557 0.91629 1.00000
Y6 Y 0.75000 0.12557 0.58371 1.00000
Y7 Y 0.75000 0.62390 0.24902 1.00000
Y8 Y 0.75000 0.12390 0.25098 1.00000
Np1 Np 0.25000 0.87382 0.08352 1.00000
Np2 Np 0.25000 0.37382 0.41648 1.00000
Np3 Np 0.75000 0.62618 0.58352 1.00000
Np4 Np 0.75000 0.12618 0.91648 1.00000
N1 N 0.25000 0.62093 0.58159 1.00000
N2 N 0.25000 0.12093 0.91841 1.00000
N3 N 0.25000 0.63911 0.92602 1.00000
N4 N 0.25000 0.13911 0.57398 1.00000
N5 N 0.25000 0.62373 0.24808 1.00000
N6 N 0.25000 0.12373 0.25192 1.00000
N7 N 0.75000 0.87627 0.74808 1.00000
N8 N 0.75000 0.37627 0.75192 1.00000
N9 N 0.75000 0.86089 0.42602 1.00000
N10 N 0.75000 0.36089 0.07398 1.00000
N11 N 0.75000 0.87907 0.08159 1.00000
N12 N 0.75000 0.37907 0.41841 1.00000
