KPu(IO4)2
Alexandria ALEXAlex-ID: agm004875284 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_939_spg12
K2I4O11 K2Pu3(IO5)4 KIO3 I
2023-01-03 13:52:57.040578
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875284).
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 agm004875284
data_agm004875284
_cell_length_a 5.69775
_cell_length_b 8.05281
_cell_length_c 7.53991
_cell_angle_alpha 41.80834
_cell_angle_beta 67.80011
_cell_angle_gamma 69.28169
_cell_volume 212.06689
_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 0.50000 0.50000 0.50000 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
I1 I 0.21195 0.33064 0.24545 1.00000
I2 I 0.78805 0.66936 0.75455 1.00000
O1 O 0.91346 0.43829 0.73478 1.00000
O2 O 0.70919 0.45706 0.12456 1.00000
O3 O 0.08654 0.56171 0.26522 1.00000
O4 O 0.29081 0.54294 0.87544 1.00000
O5 O 0.68494 0.94156 0.23217 1.00000
O6 O 0.31506 0.05844 0.76783 1.00000
O7 O 0.14133 0.94156 0.23217 1.00000
O8 O 0.85867 0.05844 0.76783 1.00000
Get direct link