Cd(ClO3)2
Alexandria ALEXAlex-ID: agm005686132 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1419_spg15
ClO6 CdO4 Cd(ClO)2
2023-07-09 02:33:56.576721
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686132).
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 agm005686132
data_agm005686132
_cell_length_a 7.42815
_cell_length_b 6.73465
_cell_length_c 6.73465
_cell_angle_alpha 92.11223
_cell_angle_beta 70.82174
_cell_angle_gamma 70.82173
_cell_volume 296.56493
_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 0.05304 0.94696 1.00000
Cd2 Cd 0.75000 0.94696 0.05304 1.00000
Cl1 Cl 0.25367 0.56406 0.82771 1.00000
Cl2 Cl 0.24633 0.17229 0.43594 1.00000
Cl3 Cl 0.74633 0.43594 0.17229 1.00000
Cl4 Cl 0.75367 0.82771 0.56406 1.00000
O1 O 0.45824 0.57487 0.75757 1.00000
O2 O 0.04176 0.24243 0.42513 1.00000
O3 O 0.54176 0.42513 0.24243 1.00000
O4 O 0.95824 0.75757 0.57487 1.00000
O5 O 0.73535 0.98392 0.41159 1.00000
O6 O 0.76465 0.58841 0.01608 1.00000
O7 O 0.26465 0.01608 0.58841 1.00000
O8 O 0.23535 0.41159 0.98392 1.00000
O9 O 0.10881 0.78977 0.96868 1.00000
O10 O 0.39119 0.03132 0.21023 1.00000
O11 O 0.89119 0.21023 0.03132 1.00000
O12 O 0.60881 0.96868 0.78977 1.00000
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