ZnH8(ClO5)2
Alexandria ALEXAlex-ID: agm006709554 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8D10_3_spg14
ZnH8(ClO6)2 Zn(ClO)2 H2O
2025-01-14 23:17:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006709554).
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 agm006709554
data_agm006709554
_cell_length_a 8.12234
_cell_length_b 6.99652
_cell_length_c 8.73474
_cell_angle_alpha 90.00000
_cell_angle_beta 100.76034
_cell_angle_gamma 90.00000
_cell_volume 487.65091
_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 0.00000 0.00000 0.50000 1.00000
Zn2 Zn 0.00000 0.50000 0.00000 1.00000
H1 H 0.15952 0.99981 0.26517 1.00000
H2 H 0.84048 0.49981 0.23483 1.00000
H3 H 0.84048 0.00019 0.73483 1.00000
H4 H 0.15952 0.50019 0.76517 1.00000
H5 H 0.99406 0.12045 0.20446 1.00000
H6 H 0.00594 0.62045 0.29554 1.00000
H7 H 0.00594 0.87955 0.79554 1.00000
H8 H 0.99406 0.37955 0.70446 1.00000
H9 H 0.73357 0.77646 0.42779 1.00000
H10 H 0.26643 0.27646 0.07221 1.00000
H11 H 0.26643 0.22354 0.57221 1.00000
H12 H 0.73357 0.72354 0.92779 1.00000
H13 H 0.73832 0.89538 0.27234 1.00000
H14 H 0.26168 0.39538 0.22766 1.00000
H15 H 0.26168 0.10462 0.72766 1.00000
H16 H 0.73832 0.60462 0.77234 1.00000
Cl1 Cl 0.70267 0.35938 0.47540 1.00000
Cl2 Cl 0.29733 0.85938 0.02460 1.00000
Cl3 Cl 0.29733 0.64062 0.52460 1.00000
Cl4 Cl 0.70267 0.14062 0.97540 1.00000
O1 O 0.88426 0.28903 0.53139 1.00000
O2 O 0.11574 0.78903 0.96861 1.00000
O3 O 0.11574 0.71097 0.46861 1.00000
O4 O 0.88426 0.21097 0.03139 1.00000
O5 O 0.67809 0.37690 0.30277 1.00000
O6 O 0.32191 0.87690 0.19723 1.00000
O7 O 0.32191 0.62310 0.69723 1.00000
O8 O 0.67809 0.12310 0.80277 1.00000
O9 O 0.69874 0.94333 0.04350 1.00000
O10 O 0.30126 0.44333 0.45650 1.00000
O11 O 0.30126 0.05667 0.95650 1.00000
O12 O 0.69874 0.55667 0.54350 1.00000
O13 O 0.07486 0.08350 0.29978 1.00000
O14 O 0.92514 0.58350 0.20022 1.00000
O15 O 0.92514 0.91650 0.70022 1.00000
O16 O 0.07486 0.41650 0.79978 1.00000
O17 O 0.76370 0.90061 0.38685 1.00000
O18 O 0.23630 0.40061 0.11315 1.00000
O19 O 0.23630 0.09939 0.61315 1.00000
O20 O 0.76370 0.59939 0.88685 1.00000
