NaIO4
Alexandria ALEXAlex-ID: agm005265666 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
Na2O9 NaI3O8 NaIO3
2024-10-07 19:37:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265666).
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 agm005265666
data_agm005265666
_cell_length_a 5.95423
_cell_length_b 4.52957
_cell_length_c 7.42904
_cell_angle_alpha 73.34817
_cell_angle_beta 113.92153
_cell_angle_gamma 90.13786
_cell_volume 173.98299
_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 0.88031 0.37317 0.75515 1.00000
Na2 Na 0.12208 0.62808 0.23972 1.00000
I1 I 0.32800 0.92423 0.65168 1.00000
I2 I 0.57839 0.17687 0.15289 1.00000
O1 O 0.48630 0.23531 0.52356 1.00000
O2 O 0.04079 0.23495 0.52299 1.00000
O3 O 0.73673 0.48601 0.02485 1.00000
O4 O 0.29076 0.98708 0.02548 1.00000
O5 O 0.03962 0.73589 0.52229 1.00000
O6 O 0.29088 0.48509 0.02440 1.00000
O7 O 0.48675 0.73644 0.52327 1.00000
O8 O 0.73810 0.98834 0.02600 1.00000
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