KPuIO6
Alexandria ALEXAlex-ID: agm005069719 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
K2Pu3(IO5)4 KIO3 K2Pu2O7
2022-12-17 16:55:44.732236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005069719).
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 agm005069719
data_agm005069719
_cell_length_a 5.86664
_cell_length_b 5.90712
_cell_length_c 5.73851
_cell_angle_alpha 91.14564
_cell_angle_beta 89.89042
_cell_angle_gamma 60.29195
_cell_volume 172.67868
_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 0.99142 0.99244 0.00054 1.00000
Pu1 Pu 0.68207 0.67857 0.50172 1.00000
I1 I 0.36225 0.34821 0.49724 1.00000
O1 O 0.92613 0.43868 0.29141 1.00000
O2 O 0.43760 0.91846 0.71037 1.00000
O3 O 0.61509 0.35611 0.68920 1.00000
O4 O 0.00966 0.62945 0.68731 1.00000
O5 O 0.36244 0.60355 0.31024 1.00000
O6 O 0.61309 0.03458 0.31188 1.00000
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