K5Pu2O12
Alexandria ALEXAlex-ID: agm005669663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_470_spg12
K5Pu3O12 K5PuO6 KO4
2023-06-28 22:08:58.062071
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669663).
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 agm005669663
data_agm005669663
_cell_length_a 7.78124
_cell_length_b 7.78124
_cell_length_c 6.26365
_cell_angle_alpha 82.22029
_cell_angle_beta 82.22029
_cell_angle_gamma 71.49370
_cell_volume 354.60071
_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
K1 K 0.24057 0.24057 0.05114 1.00000
K2 K 0.37072 0.37072 0.50889 1.00000
K3 K 0.00000 0.00000 0.50000 1.00000
K4 K 0.62928 0.62928 0.49111 1.00000
K5 K 0.75943 0.75943 0.94886 1.00000
Pu1 Pu 0.25116 0.74884 0.00000 1.00000
Pu2 Pu 0.74884 0.25116 0.00000 1.00000
O1 O 0.04713 0.04713 0.91718 1.00000
O2 O 0.60267 0.14253 0.21146 1.00000
O3 O 0.14253 0.60267 0.21146 1.00000
O4 O 0.67776 0.14835 0.77754 1.00000
O5 O 0.14835 0.67776 0.77754 1.00000
O6 O 0.46932 0.46932 0.91181 1.00000
O7 O 0.53068 0.53068 0.08819 1.00000
O8 O 0.32224 0.85165 0.22246 1.00000
O9 O 0.85165 0.32224 0.22246 1.00000
O10 O 0.39733 0.85747 0.78854 1.00000
O11 O 0.85747 0.39733 0.78854 1.00000
O12 O 0.95287 0.95287 0.08282 1.00000
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