ClO5
Alexandria ALEXAlex-ID: agm005287433 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_952_spg62
ClO2 ClO6
2023-05-10 02:53:41.188289
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287433).
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 agm005287433
data_agm005287433
_cell_length_a 5.96107
_cell_length_b 7.52385
_cell_length_c 8.48295
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 380.46191
_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
Cl1 Cl 0.25000 0.32082 0.98294 1.00000
Cl2 Cl 0.25000 0.17918 0.48294 1.00000
Cl3 Cl 0.75000 0.67918 0.01706 1.00000
Cl4 Cl 0.75000 0.82082 0.51706 1.00000
O1 O 0.25000 0.44290 0.84203 1.00000
O2 O 0.25000 0.05710 0.34203 1.00000
O3 O 0.75000 0.55710 0.15797 1.00000
O4 O 0.75000 0.94290 0.65797 1.00000
O5 O 0.25000 0.42258 0.12487 1.00000
O6 O 0.25000 0.07742 0.62487 1.00000
O7 O 0.75000 0.57742 0.87513 1.00000
O8 O 0.75000 0.92258 0.37513 1.00000
O9 O 0.05259 0.20388 0.96962 1.00000
O10 O 0.44741 0.29612 0.46962 1.00000
O11 O 0.55259 0.79612 0.03038 1.00000
O12 O 0.94741 0.70388 0.53038 1.00000
O13 O 0.94741 0.79612 0.03038 1.00000
O14 O 0.55259 0.70388 0.53038 1.00000
O15 O 0.44741 0.20388 0.96962 1.00000
O16 O 0.05259 0.29612 0.46962 1.00000
O17 O 0.75000 0.27825 0.12548 1.00000
O18 O 0.75000 0.22175 0.62548 1.00000
O19 O 0.25000 0.72175 0.87452 1.00000
O20 O 0.25000 0.77825 0.37452 1.00000
