Ca5(PuU)2
Alexandria ALEXAlex-ID: agm009852854 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1765_spg12
Ca Pu U
2024-06-24 11:42:12.959584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009852854).
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 agm009852854
data_agm009852854
_cell_length_a 6.66480
_cell_length_b 6.66480
_cell_length_c 12.50509
_cell_angle_alpha 83.63698
_cell_angle_beta 83.63698
_cell_angle_gamma 32.62483
_cell_volume 297.47028
_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
Ca1 Ca 0.97754 0.97754 0.79600 1.00000
Ca2 Ca 0.02246 0.02246 0.20400 1.00000
Ca3 Ca 0.72191 0.72191 0.64800 1.00000
Ca4 Ca 0.27809 0.27809 0.35200 1.00000
Ca5 Ca 0.00000 0.00000 0.50000 1.00000
Pu1 Pu 0.24354 0.24354 0.89252 1.00000
Pu2 Pu 0.75646 0.75646 0.10748 1.00000
U1 U 0.63143 0.63143 0.96099 1.00000
U2 U 0.36857 0.36857 0.03901 1.00000
Get direct link