Y2NpP3
Alexandria ALEXAlex-ID: agm019369333 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_31_spg52
YNp2P3 YP
2025-02-03 00:02:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019369333).
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 agm019369333
data_agm019369333
_cell_length_a 5.64209
_cell_length_b 7.98718
_cell_length_c 11.95359
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 538.68148
_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 0.87514 0.74846 1.00000
Y2 Y 0.25000 0.37514 0.75154 1.00000
Y3 Y 0.25000 0.87560 0.41690 1.00000
Y4 Y 0.25000 0.37560 0.08310 1.00000
Y5 Y 0.75000 0.62440 0.91690 1.00000
Y6 Y 0.75000 0.12440 0.58310 1.00000
Y7 Y 0.75000 0.62486 0.24846 1.00000
Y8 Y 0.75000 0.12486 0.25154 1.00000
Np1 Np 0.25000 0.87526 0.08457 1.00000
Np2 Np 0.25000 0.37526 0.41543 1.00000
Np3 Np 0.75000 0.62474 0.58457 1.00000
Np4 Np 0.75000 0.12474 0.91543 1.00000
P1 P 0.25000 0.62134 0.58167 1.00000
P2 P 0.25000 0.12134 0.91833 1.00000
P3 P 0.25000 0.63053 0.92036 1.00000
P4 P 0.25000 0.13053 0.57964 1.00000
P5 P 0.25000 0.62484 0.24904 1.00000
P6 P 0.25000 0.12484 0.25096 1.00000
P7 P 0.75000 0.87516 0.74904 1.00000
P8 P 0.75000 0.37516 0.75096 1.00000
P9 P 0.75000 0.86947 0.42036 1.00000
P10 P 0.75000 0.36947 0.07964 1.00000
P11 P 0.75000 0.87866 0.08167 1.00000
P12 P 0.75000 0.37866 0.41833 1.00000
