K2IO5
Alexandria ALEXAlex-ID: agm006012633 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1294_spg15
K4I2O9 KIO3 KO4
2023-09-02 23:15:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012633).
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 agm006012633
data_agm006012633
_cell_length_a 6.32314
_cell_length_b 7.32170
_cell_length_c 7.55069
_cell_angle_alpha 61.10727
_cell_angle_beta 65.24666
_cell_angle_gamma 64.41764
_cell_volume 266.10478
_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 0.61326 0.41831 0.35011 1.00000
K2 K 0.28604 0.14820 0.28023 1.00000
K3 K 0.61832 0.91831 0.85011 1.00000
K4 K 0.28553 0.64820 0.78023 1.00000
I1 I 0.95069 0.78374 0.31429 1.00000
I2 I 0.95128 0.28374 0.81429 1.00000
O1 O 0.74362 0.28931 0.69565 1.00000
O2 O 0.01049 0.59219 0.19127 1.00000
O3 O 0.15964 0.27781 0.93258 1.00000
O4 O 0.27142 0.78931 0.19565 1.00000
O5 O 0.20605 0.09219 0.69127 1.00000
O6 O 0.62997 0.77781 0.43258 1.00000
O7 O 0.69710 0.47511 0.93770 1.00000
O8 O 0.89009 0.97511 0.43770 1.00000
O9 O 0.83321 0.03373 0.06425 1.00000
O10 O 0.06881 0.53373 0.56425 1.00000
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