Zn(IO3)2
Alexandria ALEXAlex-ID: agm005687014 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_865_spg15
Zn(IO3)2
2023-07-09 04:47:09.047334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687014).
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 agm005687014
data_agm005687014
_cell_length_a 8.95833
_cell_length_b 6.45897
_cell_length_c 6.45897
_cell_angle_alpha 80.79131
_cell_angle_beta 71.65005
_cell_angle_gamma 71.65004
_cell_volume 335.91543
_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
Zn1 Zn 0.25000 0.09068 0.90932 1.00000
Zn2 Zn 0.75000 0.90932 0.09068 1.00000
I1 I 0.25945 0.64119 0.73102 1.00000
I2 I 0.24055 0.26898 0.35881 1.00000
I3 I 0.74055 0.35881 0.26898 1.00000
I4 I 0.75945 0.73102 0.64119 1.00000
O1 O 0.57354 0.67195 0.64226 1.00000
O2 O 0.92646 0.35774 0.32805 1.00000
O3 O 0.42646 0.32805 0.35774 1.00000
O4 O 0.07354 0.64226 0.67195 1.00000
O5 O 0.78979 0.90311 0.38057 1.00000
O6 O 0.71021 0.61943 0.09689 1.00000
O7 O 0.21021 0.09689 0.61943 1.00000
O8 O 0.28979 0.38057 0.90311 1.00000
O9 O 0.18475 0.81083 0.96678 1.00000
O10 O 0.31525 0.03322 0.18917 1.00000
O11 O 0.81525 0.18917 0.03322 1.00000
O12 O 0.68475 0.96678 0.81083 1.00000
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