NdU2P3
Alexandria ALEXAlex-ID: agm005657496 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Nd5UP6 UP
2023-08-24 09:04:29.151120
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657496).
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 agm005657496
data_agm005657496
_cell_length_a 5.67261
_cell_length_b 7.99684
_cell_length_c 12.05903
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.98477
_cell_volume 547.03332
_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
Nd1 Nd 0.24969 0.87452 0.07975 1.00000
Nd2 Nd 0.24969 0.37452 0.42025 1.00000
Nd3 Nd 0.75031 0.62548 0.57975 1.00000
Nd4 Nd 0.75031 0.12548 0.92025 1.00000
U1 U 0.25068 0.87498 0.75353 1.00000
U2 U 0.25068 0.37498 0.74647 1.00000
U3 U 0.24965 0.87825 0.41546 1.00000
U4 U 0.24965 0.37825 0.08454 1.00000
U5 U 0.75035 0.62175 0.91546 1.00000
U6 U 0.75035 0.12175 0.58454 1.00000
U7 U 0.74932 0.62502 0.25353 1.00000
U8 U 0.74932 0.12502 0.24647 1.00000
P1 P 0.25033 0.63598 0.58803 1.00000
P2 P 0.25033 0.13598 0.91197 1.00000
P3 P 0.25039 0.61664 0.91175 1.00000
P4 P 0.25039 0.11664 0.58825 1.00000
P5 P 0.24928 0.62628 0.25203 1.00000
P6 P 0.24928 0.12628 0.24797 1.00000
P7 P 0.75072 0.87372 0.75203 1.00000
P8 P 0.75072 0.37372 0.74797 1.00000
P9 P 0.74961 0.88336 0.41175 1.00000
P10 P 0.74961 0.38336 0.08825 1.00000
P11 P 0.74967 0.86402 0.08803 1.00000
P12 P 0.74967 0.36402 0.41197 1.00000
