K2I2O3
Alexandria ALEXAlex-ID: agm005286991 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_499_spg7
KIO3 KI
2023-05-06 19:19:42.199474
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286991).
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 agm005286991
data_agm005286991
_cell_length_a 5.52416
_cell_length_b 5.99892
_cell_length_c 12.11270
_cell_angle_alpha 60.45885
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 349.22157
_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 0.23993 0.28770 0.74118 1.00000
K2 K 0.23682 0.77266 0.24029 1.00000
K3 K 0.76318 0.77266 0.74029 1.00000
K4 K 0.76007 0.28770 0.24118 1.00000
I1 I 0.76121 0.03611 0.00837 1.00000
I2 I 0.27836 0.55385 0.99117 1.00000
I3 I 0.23879 0.03611 0.50837 1.00000
I4 I 0.72164 0.55385 0.49117 1.00000
O1 O 0.45793 0.72145 0.58935 1.00000
O2 O 0.54207 0.72145 0.08935 1.00000
O3 O 0.25103 0.28841 0.16194 1.00000
O4 O 0.93438 0.41145 0.41048 1.00000
O5 O 0.74897 0.28841 0.66194 1.00000
O6 O 0.06562 0.41145 0.91048 1.00000
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