K2UCoS5
Alexandria ALEXAlex-ID: agm005159803 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_218_spg36
K2US4 KUS3 K3US4 Co3S4
2023-01-19 13:52:52.887529
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159803).
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 agm005159803
data_agm005159803
_cell_length_a 3.94716
_cell_length_b 9.60070
_cell_length_c 13.37515
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.86264
_cell_volume 496.03249
_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 0.88195 0.76390 0.83987 1.00000
K2 K 0.12502 0.25003 0.69381 1.00000
K3 K 0.11805 0.23610 0.33987 1.00000
K4 K 0.87498 0.74997 0.19381 1.00000
U1 U 0.80039 0.60077 0.52541 1.00000
U2 U 0.19961 0.39923 0.02541 1.00000
Co1 Co 0.58283 0.16565 0.91754 1.00000
Co2 Co 0.41717 0.83435 0.41754 1.00000
S1 S 0.33009 0.66019 0.01699 1.00000
S2 S 0.69812 0.39623 0.89418 1.00000
S3 S 0.51183 0.02366 0.79721 1.00000
S4 S 0.30911 0.61822 0.65525 1.00000
S5 S 0.93736 0.87472 0.48371 1.00000
S6 S 0.66991 0.33981 0.51699 1.00000
S7 S 0.30188 0.60377 0.39418 1.00000
S8 S 0.48817 0.97634 0.29721 1.00000
S9 S 0.69089 0.38178 0.15525 1.00000
S10 S 0.06264 0.12528 0.98371 1.00000
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