CdH8(ClO5)2
Alexandria ALEXAlex-ID: agm006709679 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8D10_3_spg14
CdH8(ClO6)2 Cd(ClO)2 H2O
2025-01-02 13:51:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006709679).
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 agm006709679
data_agm006709679
_cell_length_a 8.35450
_cell_length_b 7.14096
_cell_length_c 8.98598
_cell_angle_alpha 90.00000
_cell_angle_beta 100.77887
_cell_angle_gamma 90.00000
_cell_volume 526.63768
_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 0.50000 0.50000 0.00000 1.00000
Cd2 Cd 0.50000 0.00000 0.50000 1.00000
H1 H 0.21583 0.77658 0.42307 1.00000
H2 H 0.78417 0.27658 0.07693 1.00000
H3 H 0.78417 0.22342 0.57693 1.00000
H4 H 0.21583 0.72342 0.92307 1.00000
H5 H 0.22035 0.89093 0.27199 1.00000
H6 H 0.77965 0.39093 0.22801 1.00000
H7 H 0.33494 0.99727 0.74696 1.00000
H8 H 0.66506 0.49727 0.75304 1.00000
H9 H 0.66506 0.00273 0.25304 1.00000
H10 H 0.33494 0.50273 0.24696 1.00000
H11 H 0.50196 0.89055 0.80708 1.00000
H12 H 0.49804 0.39055 0.69292 1.00000
H13 H 0.49804 0.10945 0.19292 1.00000
H14 H 0.50196 0.60945 0.30708 1.00000
H15 H 0.77965 0.10907 0.72801 1.00000
H16 H 0.22035 0.60907 0.77199 1.00000
Cl1 Cl 0.80182 0.63138 0.52083 1.00000
Cl2 Cl 0.19818 0.13138 0.97917 1.00000
Cl3 Cl 0.19818 0.36862 0.47917 1.00000
Cl4 Cl 0.80182 0.86862 0.02083 1.00000
O1 O 0.37507 0.30098 0.53344 1.00000
O2 O 0.37507 0.19902 0.03344 1.00000
O3 O 0.24289 0.60109 0.88312 1.00000
O4 O 0.75711 0.10109 0.61688 1.00000
O5 O 0.75711 0.39891 0.11688 1.00000
O6 O 0.24289 0.89891 0.38312 1.00000
O7 O 0.41825 0.58480 0.21521 1.00000
O8 O 0.58175 0.08480 0.28479 1.00000
O9 O 0.58175 0.41520 0.78479 1.00000
O10 O 0.41825 0.91520 0.71521 1.00000
O11 O 0.82643 0.61600 0.68871 1.00000
O12 O 0.17357 0.11600 0.81129 1.00000
O13 O 0.17357 0.38400 0.31129 1.00000
O14 O 0.82643 0.88400 0.18871 1.00000
O15 O 0.19328 0.56211 0.54457 1.00000
O16 O 0.80672 0.06211 0.95543 1.00000
O17 O 0.80672 0.43789 0.45543 1.00000
O18 O 0.19328 0.93789 0.04457 1.00000
O19 O 0.62493 0.69902 0.46656 1.00000
O20 O 0.62493 0.80098 0.96656 1.00000
