K4H6W2S2O9
Alexandria ALEXAlex-ID: agm003280293 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C4D6E9_0_spg15
KH3O2 K2WO4 H2O K2SO4 WS2
2022-05-14 09:46:11.489617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003280293).
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 agm003280293
data_agm003280293
_cell_length_a 6.57951
_cell_length_b 6.57951
_cell_length_c 19.02691
_cell_angle_alpha 82.58057
_cell_angle_beta 82.58057
_cell_angle_gamma 80.02461
_cell_volume 799.60855
_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 0.19938 0.21818 0.21606 1.00000
K2 K 0.78182 0.80062 0.28394 1.00000
K3 K 0.80062 0.78182 0.78394 1.00000
K4 K 0.21818 0.19938 0.71606 1.00000
K5 K 0.13219 0.74112 0.06150 1.00000
K6 K 0.25888 0.86781 0.43850 1.00000
K7 K 0.86781 0.25888 0.93850 1.00000
K8 K 0.74112 0.13219 0.56150 1.00000
H1 H 0.78853 0.71779 0.46544 1.00000
H2 H 0.28221 0.21147 0.03456 1.00000
H3 H 0.21147 0.28221 0.53456 1.00000
H4 H 0.71779 0.78853 0.96544 1.00000
H5 H 0.92278 0.55141 0.42018 1.00000
H6 H 0.44859 0.07722 0.07982 1.00000
H7 H 0.07722 0.44859 0.57982 1.00000
H8 H 0.55141 0.92278 0.92018 1.00000
H9 H 0.29090 0.71711 0.28990 1.00000
H10 H 0.28289 0.70910 0.21010 1.00000
H11 H 0.70910 0.28289 0.71010 1.00000
H12 H 0.71711 0.29090 0.78990 1.00000
W1 W 0.69186 0.45776 0.11983 1.00000
W2 W 0.54224 0.30814 0.38017 1.00000
W3 W 0.30814 0.54224 0.88017 1.00000
W4 W 0.45776 0.69186 0.61983 1.00000
S1 S 0.10694 0.75199 0.62193 1.00000
S2 S 0.24801 0.89306 0.87807 1.00000
S3 S 0.89306 0.24801 0.37807 1.00000
S4 S 0.75199 0.10694 0.12193 1.00000
O1 O 0.86219 0.53504 0.17485 1.00000
O2 O 0.46496 0.13781 0.32515 1.00000
O3 O 0.13781 0.46496 0.82515 1.00000
O4 O 0.53504 0.86219 0.67485 1.00000
O5 O 0.75306 0.57322 0.02976 1.00000
O6 O 0.42678 0.24694 0.47024 1.00000
O7 O 0.24694 0.42678 0.97024 1.00000
O8 O 0.57322 0.75306 0.52976 1.00000
O9 O 0.42102 0.54376 0.14998 1.00000
O10 O 0.45624 0.57898 0.35002 1.00000
O11 O 0.57898 0.45624 0.85002 1.00000
O12 O 0.54376 0.42102 0.64998 1.00000
O13 O 0.90709 0.69943 0.42748 1.00000
O14 O 0.30057 0.09291 0.07252 1.00000
O15 O 0.09291 0.30057 0.57252 1.00000
O16 O 0.69943 0.90709 0.92748 1.00000
O17 O 0.21209 0.78791 0.25000 1.00000
O18 O 0.78791 0.21209 0.75000 1.00000
