NpPN
Alexandria ALEXAlex-ID: agm005687217 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_30_spg11
Np2PN2 P
2023-06-19 11:47:11.604680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687217).
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 agm005687217
data_agm005687217
_cell_length_a 3.78685
_cell_length_b 3.90593
_cell_length_c 6.42038
_cell_angle_alpha 90.00115
_cell_angle_beta 72.86170
_cell_angle_gamma 90.00037
_cell_volume 90.74832
_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
Np1 Np 0.90874 0.13353 0.88987 1.00000
Np2 Np 0.21843 0.63354 0.27093 1.00000
P1 P 0.60701 0.13352 0.49442 1.00000
P2 P 0.52017 0.63352 0.66636 1.00000
N1 N 0.81064 0.63354 0.08631 1.00000
N2 N 0.31652 0.13353 0.07449 1.00000
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