PrU2P3
Alexandria ALEXAlex-ID: agm005657859 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Pr5UP6 UP
2023-08-24 09:12:23.954505
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657859).
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 agm005657859
data_agm005657859
_cell_length_a 5.69201
_cell_length_b 8.01936
_cell_length_c 12.09768
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.98633
_cell_volume 552.21420
_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 0.24972 0.87422 0.07929 1.00000
Pr2 Pr 0.24972 0.37422 0.42071 1.00000
Pr3 Pr 0.75028 0.62578 0.57929 1.00000
Pr4 Pr 0.75028 0.12578 0.92071 1.00000
U1 U 0.25061 0.87494 0.75390 1.00000
U2 U 0.25061 0.37494 0.74610 1.00000
U3 U 0.24969 0.87862 0.41528 1.00000
U4 U 0.24969 0.37862 0.08472 1.00000
U5 U 0.75031 0.62138 0.91528 1.00000
U6 U 0.75031 0.12138 0.58472 1.00000
U7 U 0.74939 0.62506 0.25390 1.00000
U8 U 0.74939 0.12506 0.24610 1.00000
P1 P 0.25030 0.63747 0.58874 1.00000
P2 P 0.25030 0.13747 0.91126 1.00000
P3 P 0.25035 0.61526 0.91095 1.00000
P4 P 0.25035 0.11526 0.58905 1.00000
P5 P 0.24935 0.62640 0.25226 1.00000
P6 P 0.24935 0.12640 0.24774 1.00000
P7 P 0.75065 0.87360 0.75226 1.00000
P8 P 0.75065 0.37360 0.74774 1.00000
P9 P 0.74965 0.88474 0.41095 1.00000
P10 P 0.74965 0.38474 0.08905 1.00000
P11 P 0.74970 0.86253 0.08874 1.00000
P12 P 0.74970 0.36253 0.41126 1.00000
