K3CoS3
Alexandria ALEXAlex-ID: agm012886908 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_64_spg14
K2Co3S4 K2S KS
2025-01-25 07:21:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012886908).
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 agm012886908
data_agm012886908
_cell_length_a 7.75958
_cell_length_b 12.60623
_cell_length_c 10.30414
_cell_angle_alpha 90.00000
_cell_angle_beta 128.51172
_cell_angle_gamma 90.00000
_cell_volume 788.69471
_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 0.15038 0.06282 0.89816 1.00000
K2 K 0.84962 0.56282 0.60184 1.00000
K3 K 0.84962 0.93718 0.10184 1.00000
K4 K 0.15038 0.43718 0.39816 1.00000
K5 K 0.11168 0.36355 0.96681 1.00000
K6 K 0.88832 0.86355 0.53319 1.00000
K7 K 0.88832 0.63645 0.03319 1.00000
K8 K 0.11168 0.13645 0.46681 1.00000
K9 K 0.62513 0.20316 0.89543 1.00000
K10 K 0.37487 0.70316 0.60457 1.00000
K11 K 0.37487 0.79684 0.10457 1.00000
K12 K 0.62513 0.29684 0.39543 1.00000
Co1 Co 0.43790 0.44985 0.84786 1.00000
Co2 Co 0.56210 0.94985 0.65214 1.00000
Co3 Co 0.56210 0.55015 0.15214 1.00000
Co4 Co 0.43790 0.05015 0.34786 1.00000
S1 S 0.35065 0.88794 0.38584 1.00000
S2 S 0.64935 0.38794 0.11416 1.00000
S3 S 0.64935 0.11206 0.61416 1.00000
S4 S 0.35065 0.61206 0.88584 1.00000
S5 S 0.37513 0.96320 0.74887 1.00000
S6 S 0.62487 0.46320 0.75113 1.00000
S7 S 0.62487 0.03680 0.25113 1.00000
S8 S 0.37513 0.53680 0.24887 1.00000
S9 S 0.15047 0.34022 0.68353 1.00000
S10 S 0.84953 0.84022 0.81647 1.00000
S11 S 0.84953 0.65978 0.31647 1.00000
S12 S 0.15047 0.15978 0.18353 1.00000
