K2Y3Cu5S8
Alexandria ALEXAlex-ID: agm009489642 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5D8_1_spg8
KY2CuS4 Cu3S2 KCu3S2 Cu
2024-04-11 02:00:39.996876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009489642).
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 agm009489642
data_agm009489642
_cell_length_a 7.17436
_cell_length_b 7.17436
_cell_length_c 14.54806
_cell_angle_alpha 70.30672
_cell_angle_beta 70.30672
_cell_angle_gamma 31.90990
_cell_volume 370.70292
_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 0.01325 0.01325 0.99248 1.00000
K2 K 0.36089 0.36089 0.42111 1.00000
Y1 Y 0.03335 0.03335 0.59059 1.00000
Y2 Y 0.33396 0.33396 0.82449 1.00000
Y3 Y 0.20177 0.20177 0.21341 1.00000
Cu1 Cu 0.72706 0.72706 0.03168 1.00000
Cu2 Cu 0.64942 0.64942 0.40492 1.00000
Cu3 Cu 0.98350 0.98350 0.21870 1.00000
Cu4 Cu 0.78287 0.78287 0.66679 1.00000
Cu5 Cu 0.58389 0.58389 0.74951 1.00000
S1 S 0.57302 0.57302 0.16581 1.00000
S2 S 0.31697 0.31697 0.01620 1.00000
S3 S 0.69293 0.69293 0.84468 1.00000
S4 S 0.80763 0.80763 0.26611 1.00000
S5 S 0.05849 0.05849 0.39749 1.00000
S6 S 0.67524 0.67524 0.56748 1.00000
S7 S 0.38079 0.38079 0.62594 1.00000
S8 S 0.98679 0.98679 0.78914 1.00000
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