K6S2O
Alexandria ALEXAlex-ID: agm005824902 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_7_spg14
K2S K2O
2023-07-09 04:05:30.299219
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005824902).
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 agm005824902
data_agm005824902
_cell_length_a 7.10074
_cell_length_b 8.33835
_cell_length_c 10.01873
_cell_angle_alpha 90.00000
_cell_angle_beta 93.02908
_cell_angle_gamma 90.00000
_cell_volume 592.36502
_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 0.88339 0.95495 0.26103 1.00000
K2 K 0.86196 0.71431 0.56030 1.00000
K3 K 0.80078 0.64298 0.94298 1.00000
K4 K 0.69922 0.14298 0.55702 1.00000
K5 K 0.63804 0.21431 0.93970 1.00000
K6 K 0.61661 0.45495 0.23897 1.00000
K7 K 0.11661 0.04505 0.73897 1.00000
K8 K 0.13804 0.28569 0.43970 1.00000
K9 K 0.19922 0.35702 0.05702 1.00000
K10 K 0.30078 0.85702 0.44298 1.00000
K11 K 0.36196 0.78569 0.06030 1.00000
K12 K 0.38339 0.54505 0.76103 1.00000
S1 S 0.96667 0.39859 0.74167 1.00000
S2 S 0.53333 0.89859 0.75833 1.00000
S3 S 0.46667 0.10141 0.24167 1.00000
S4 S 0.03333 0.60141 0.25833 1.00000
O1 O 0.50000 0.50000 0.00000 1.00000
O2 O 0.00000 0.00000 0.50000 1.00000
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