Pr2PuN3
Alexandria ALEXAlex-ID: agm015518878 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1840_spg65
Pr3PuN4 PrPuN2
2025-04-15 07:27:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015518878).
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 agm015518878
data_agm015518878
_cell_length_a 6.23628
_cell_length_b 6.23628
_cell_length_c 6.24723
_cell_angle_alpha 80.39542
_cell_angle_beta 99.60458
_cell_angle_gamma 60.05607
_cell_volume 198.48376
_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
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.83444 0.83444 0.00000 1.00000
Pr4 Pr 0.16556 0.16556 0.00000 1.00000
Pu1 Pu 0.66670 0.66670 0.50000 1.00000
Pu2 Pu 0.33330 0.33330 0.50000 1.00000
N1 N 0.71989 0.28011 0.72406 1.00000
N2 N 0.28011 0.71989 0.27594 1.00000
N3 N 0.07619 0.56955 0.72796 1.00000
N4 N 0.43045 0.92381 0.72796 1.00000
N5 N 0.56955 0.07619 0.27204 1.00000
N6 N 0.92381 0.43045 0.27204 1.00000
Get direct link