K5W(ClO2)2
Alexandria ALEXAlex-ID: agm004680321 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D5_22_spg38
K2WO4 K4WO5 KCl W
2022-06-22 22:11:55.803267
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004680321).
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 agm004680321
data_agm004680321
_cell_length_a 6.64614
_cell_length_b 6.24022
_cell_length_c 8.45819
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.17614
_cell_volume 296.91363
_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
K1 K 0.06532 0.35978 0.21185 1.00000
K2 K 0.48624 0.00000 0.50000 1.00000
K3 K 0.06532 0.35978 0.78815 1.00000
K4 K 0.70554 0.64022 0.78815 1.00000
K5 K 0.70554 0.64022 0.21185 1.00000
W1 W 0.41085 0.00000 0.00000 1.00000
Cl1 Cl 0.95560 0.60524 0.50000 1.00000
Cl2 Cl 0.35036 0.39476 0.50000 1.00000
O1 O 0.57419 1.00000 0.18492 1.00000
O2 O 0.57419 1.00000 0.81508 1.00000
O3 O 0.40802 0.30357 0.00000 1.00000
O4 O 0.10445 0.69643 0.00000 1.00000
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