HgClO4
Alexandria ALEXAlex-ID: agm005772808 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3289_spg2
ClO6 HgO5 Hg(ClO)2
2023-07-31 04:00:54.080802
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772808).
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 agm005772808
data_agm005772808
_cell_length_a 3.62771
_cell_length_b 11.76865
_cell_length_c 10.94722
_cell_angle_alpha 126.06245
_cell_angle_beta 55.72257
_cell_angle_gamma 136.21489
_cell_volume 253.32214
_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
Hg1 Hg 0.27770 0.56124 0.17901 1.00000
Hg2 Hg 0.72231 0.43876 0.82099 1.00000
Cl1 Cl 0.40855 0.13072 0.40747 1.00000
Cl2 Cl 0.59145 0.86928 0.59253 1.00000
O1 O 0.67088 0.03504 0.64507 1.00000
O2 O 0.00650 0.88192 0.03221 1.00000
O3 O 0.89506 0.29272 0.47491 1.00000
O4 O 0.31584 0.85045 0.90706 1.00000
O5 O 0.32912 0.96496 0.35493 1.00000
O6 O 0.10494 0.70728 0.52509 1.00000
O7 O 0.99350 0.11808 0.96779 1.00000
O8 O 0.68416 0.14955 0.09294 1.00000
Get direct link