PuU2P3
Alexandria ALEXAlex-ID: agm005658214 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
PuU3P4 PuUP2
2023-08-24 10:26:03.657657
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658214).
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 agm005658214
data_agm005658214
_cell_length_a 5.57254
_cell_length_b 7.87466
_cell_length_c 11.87323
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99408
_cell_volume 521.01925
_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
Pu1 Pu 0.24984 0.87531 0.08283 1.00000
Pu2 Pu 0.24984 0.37531 0.41717 1.00000
Pu3 Pu 0.75016 0.62469 0.58283 1.00000
Pu4 Pu 0.75016 0.12469 0.91717 1.00000
U1 U 0.25039 0.87407 0.75125 1.00000
U2 U 0.25039 0.37407 0.74875 1.00000
U3 U 0.24977 0.87697 0.41649 1.00000
U4 U 0.24977 0.37697 0.08351 1.00000
U5 U 0.75023 0.62303 0.91649 1.00000
U6 U 0.75023 0.12303 0.58351 1.00000
U7 U 0.74961 0.62593 0.25125 1.00000
U8 U 0.74961 0.12593 0.24875 1.00000
P1 P 0.25017 0.62712 0.58396 1.00000
P2 P 0.25017 0.12712 0.91604 1.00000
P3 P 0.25024 0.62229 0.91508 1.00000
P4 P 0.25024 0.12229 0.58492 1.00000
P5 P 0.24959 0.62586 0.25069 1.00000
P6 P 0.24959 0.12586 0.24931 1.00000
P7 P 0.75041 0.87414 0.75069 1.00000
P8 P 0.75041 0.37414 0.74931 1.00000
P9 P 0.74976 0.87771 0.41508 1.00000
P10 P 0.74976 0.37771 0.08492 1.00000
P11 P 0.74983 0.87288 0.08396 1.00000
P12 P 0.74983 0.37288 0.41604 1.00000
