Pu2U2Sb5
Alexandria ALEXAlex-ID: agm009977415 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
Pu3USb5 U4Sb5
2024-05-10 16:03:16.277579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009977415).
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 agm009977415
data_agm009977415
_cell_length_a 8.64520
_cell_length_b 8.64520
_cell_length_c 7.99366
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 125.04536
_cell_volume 489.12359
_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 0.70402 0.29598 0.50000 1.00000
Pu2 Pu 0.20402 0.79598 0.00000 1.00000
Pu3 Pu 0.29598 0.70402 0.50000 1.00000
Pu4 Pu 0.79598 0.20402 0.00000 1.00000
U1 U 0.61527 0.61527 0.11733 1.00000
U2 U 0.38473 0.38473 0.88267 1.00000
U3 U 0.88473 0.88473 0.61733 1.00000
U4 U 0.11527 0.11527 0.38267 1.00000
Sb1 Sb 0.50000 0.50000 0.50000 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
Sb3 Sb 0.96147 0.68888 0.32700 1.00000
Sb4 Sb 0.31112 0.03853 0.67300 1.00000
Sb5 Sb 0.81112 0.53853 0.82700 1.00000
Sb6 Sb 0.46147 0.18888 0.17300 1.00000
Sb7 Sb 0.03853 0.31112 0.67300 1.00000
Sb8 Sb 0.68888 0.96147 0.32700 1.00000
Sb9 Sb 0.18888 0.46147 0.17300 1.00000
Sb10 Sb 0.53853 0.81112 0.82700 1.00000
Get direct link