Cd(IO3)2
Alexandria ALEXAlex-ID: agm005653183 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_856_spg15
Cd(IO3)2
2023-07-09 01:10:39.589705
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653183).
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 agm005653183
data_agm005653183
_cell_length_a 6.42593
_cell_length_b 7.14203
_cell_length_c 7.14203
_cell_angle_alpha 98.74873
_cell_angle_beta 80.82419
_cell_angle_gamma 80.82418
_cell_volume 314.09796
_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
Cd1 Cd 0.25000 0.08502 0.91498 1.00000
Cd2 Cd 0.75000 0.91498 0.08502 1.00000
I1 I 0.28381 0.56142 0.80045 1.00000
I2 I 0.21619 0.19955 0.43858 1.00000
I3 I 0.71619 0.43858 0.19955 1.00000
I4 I 0.78381 0.80045 0.56142 1.00000
O1 O 0.55569 0.69968 0.49214 1.00000
O2 O 0.94431 0.50786 0.30032 1.00000
O3 O 0.44431 0.30032 0.50786 1.00000
O4 O 0.05569 0.49214 0.69968 1.00000
O5 O 0.80702 0.97145 0.39557 1.00000
O6 O 0.69298 0.60443 0.02855 1.00000
O7 O 0.19298 0.02855 0.60443 1.00000
O8 O 0.30702 0.39557 0.97145 1.00000
O9 O 0.12764 0.79588 0.95064 1.00000
O10 O 0.37236 0.04936 0.20412 1.00000
O11 O 0.87236 0.20412 0.04936 1.00000
O12 O 0.62764 0.95064 0.79588 1.00000
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