PrU(PN3)2
Alexandria ALEXAlex-ID: agm017013506 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
PrU(PN3)2
2024-12-03 12:58:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017013506).
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 agm017013506
data_agm017013506
_cell_length_a 6.99539
_cell_length_b 6.99539
_cell_length_c 5.41961
_cell_angle_alpha 80.34861
_cell_angle_beta 99.65139
_cell_angle_gamma 92.74898
_cell_volume 257.70292
_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 0.16605 0.16605 0.25000 1.00000
Pr2 Pr 0.83395 0.83395 0.75000 1.00000
U1 U 0.60821 0.60821 0.25000 1.00000
U2 U 0.39178 0.39178 0.75000 1.00000
P1 P 0.87135 0.29860 0.72815 1.00000
P2 P 0.29860 0.87135 0.77185 1.00000
P3 P 0.12865 0.70140 0.27185 1.00000
P4 P 0.70140 0.12865 0.22815 1.00000
N1 N 0.63206 0.90497 0.30705 1.00000
N2 N 0.90497 0.63206 0.19295 1.00000
N3 N 0.36794 0.09503 0.69295 1.00000
N4 N 0.09503 0.36794 0.80705 1.00000
N5 N 0.86385 0.17492 0.48407 1.00000
N6 N 0.17492 0.86385 0.01593 1.00000
N7 N 0.13615 0.82508 0.51593 1.00000
N8 N 0.82508 0.13615 0.98407 1.00000
N9 N 0.52944 0.28874 0.15517 1.00000
N10 N 0.28874 0.52944 0.34483 1.00000
N11 N 0.47056 0.71126 0.84483 1.00000
N12 N 0.71126 0.47056 0.65517 1.00000
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