K(IO3)2
Alexandria ALEXAlex-ID: agm005662447 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3038_spg14
K2I4O11 KO12 I2O5
2023-07-09 04:12:30.892543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662447).
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 agm005662447
data_agm005662447
_cell_length_a 5.38812
_cell_length_b 5.73217
_cell_length_c 13.67330
_cell_angle_alpha 72.30468
_cell_angle_beta 89.99992
_cell_angle_gamma 90.00000
_cell_volume 402.32759
_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 0.00000 1.00000
K2 K 0.00000 0.00000 0.50000 1.00000
I1 I 0.31462 0.00732 0.24366 1.00000
I2 I 0.81462 0.49268 0.25634 1.00000
I3 I 0.18538 0.50732 0.74366 1.00000
I4 I 0.68538 0.99268 0.75634 1.00000
O1 O 0.41384 0.25651 0.80290 1.00000
O2 O 0.16270 0.23295 0.29998 1.00000
O3 O 0.21978 0.11672 0.11174 1.00000
O4 O 0.71978 0.38328 0.38826 1.00000
O5 O 0.66270 0.26705 0.20002 1.00000
O6 O 0.91384 0.24349 0.69710 1.00000
O7 O 0.58616 0.74349 0.19710 1.00000
O8 O 0.83730 0.76705 0.70002 1.00000
O9 O 0.78022 0.88328 0.88826 1.00000
O10 O 0.28022 0.61672 0.61174 1.00000
O11 O 0.33730 0.73295 0.79998 1.00000
O12 O 0.08616 0.75651 0.30290 1.00000
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