KCo2S3
Alexandria ALEXAlex-ID: agm005689656 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1157_spg63
Co9S8 Co3S4 KS
2023-08-25 03:53:46.492633
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689656).
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 agm005689656
data_agm005689656
_cell_length_a 5.18799
_cell_length_b 7.11930
_cell_length_c 7.34694
_cell_angle_alpha 118.98031
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 237.38017
_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 0.75000 0.26945 0.53890 1.00000
K2 K 0.25000 0.73055 0.46110 1.00000
Co1 Co 0.50000 0.18271 1.00000 1.00000
Co2 Co 0.50000 0.81729 0.00000 1.00000
Co3 Co 0.00000 0.81729 0.00000 1.00000
Co4 Co 0.00000 0.18271 1.00000 1.00000
S1 S 0.25000 0.55174 0.79781 1.00000
S2 S 0.75000 0.44826 0.20219 1.00000
S3 S 0.75000 0.75394 0.20219 1.00000
S4 S 0.25000 0.24606 0.79781 1.00000
S5 S 0.25000 0.09137 0.18273 1.00000
S6 S 0.75000 0.90863 0.81727 1.00000
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