K6SO2
Alexandria ALEXAlex-ID: agm005758541 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_992_spg12
K2S K2O
2023-07-09 00:34:57.410326
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758541).
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 agm005758541
data_agm005758541
_cell_length_a 5.19454
_cell_length_b 7.28000
_cell_length_c 8.92818
_cell_angle_alpha 71.50519
_cell_angle_beta 73.08771
_cell_angle_gamma 69.09815
_cell_volume 293.04060
_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 0.73151 0.63378 0.90320 1.00000
K2 K 0.26849 0.36622 0.09680 1.00000
K3 K 0.98222 0.85611 0.17944 1.00000
K4 K 0.34485 0.69745 0.61285 1.00000
K5 K 0.01778 0.14389 0.82056 1.00000
K6 K 0.65515 0.30255 0.38715 1.00000
S1 S 0.00000 0.50000 0.50000 1.00000
O1 O 0.17589 0.74715 0.90106 1.00000
O2 O 0.82411 0.25285 0.09894 1.00000
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