NaH2IO2
Alexandria ALEXAlex-ID: agm004746331 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_241_spg11
NaIO3 H2O NaI
2022-07-11 22:30:19.211523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004746331).
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 agm004746331
data_agm004746331
_cell_length_a 4.75284
_cell_length_b 4.96377
_cell_length_c 8.26123
_cell_angle_alpha 110.10562
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 183.02184
_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
Na1 Na 0.25000 0.16183 0.96822 1.00000
Na2 Na 0.75000 0.83817 0.03178 1.00000
H1 H 0.25000 0.24848 0.27135 1.00000
H2 H 0.25000 0.74055 0.72934 1.00000
H3 H 0.75000 0.75152 0.72865 1.00000
H4 H 0.75000 0.25945 0.27066 1.00000
I1 I 0.75000 0.25286 0.72898 1.00000
I2 I 0.25000 0.74714 0.27102 1.00000
O1 O 0.49690 0.23126 0.23844 1.00000
O2 O 0.00310 0.23126 0.23844 1.00000
O3 O 0.99690 0.76874 0.76156 1.00000
O4 O 0.50310 0.76874 0.76156 1.00000
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