NaIO4
Alexandria ALEXAlex-ID: agm005284906 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2259_spg5
Na2O9 NaI3O8 NaIO3
2023-05-05 07:59:57.282516
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284906).
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 agm005284906
data_agm005284906
_cell_length_a 7.03033
_cell_length_b 7.03033
_cell_length_c 8.91774
_cell_angle_alpha 69.18023
_cell_angle_beta 69.18023
_cell_angle_gamma 32.45958
_cell_volume 219.75497
_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 0.84974 0.39895 0.09215 1.00000
Na2 Na 0.60105 0.15026 0.90785 1.00000
I1 I 0.96370 0.70240 0.27393 1.00000
I2 I 0.29760 0.03630 0.72607 1.00000
O1 O 0.02722 0.58649 0.09066 1.00000
O2 O 0.41351 0.97278 0.90934 1.00000
O3 O 0.74630 0.12755 0.19316 1.00000
O4 O 0.87245 0.25370 0.80684 1.00000
O5 O 0.56087 0.87965 0.38190 1.00000
O6 O 0.12035 0.43913 0.61810 1.00000
O7 O 0.35085 0.87624 0.25958 1.00000
O8 O 0.12376 0.64915 0.74042 1.00000
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