K8SeS4
Alexandria ALEXAlex-ID: agm097348176 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_161_spg1
K2S K2Se KS
2025-06-19 09:10:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097348176).
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 agm097348176
data_agm097348176
_cell_length_a 5.44668
_cell_length_b 9.74914
_cell_length_c 9.43155
_cell_angle_alpha 67.64950
_cell_angle_beta 86.91192
_cell_angle_gamma 87.28425
_cell_volume 462.32642
_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 0.26501 0.16314 0.15503 1.00000
K2 K 0.70665 0.60197 0.13361 1.00000
K3 K 0.24303 0.62789 0.61122 1.00000
K4 K 0.71323 0.12019 0.63654 1.00000
K5 K 0.75767 0.87924 0.35793 1.00000
K6 K 0.22136 0.37331 0.39553 1.00000
K7 K 0.74903 0.38580 0.86668 1.00000
K8 K 0.17392 0.83998 0.84905 1.00000
Se1 Se 0.54921 0.95949 0.00672 1.00000
S1 S 0.93274 0.04964 0.98646 1.00000
S2 S 0.22777 0.50060 0.00026 1.00000
S3 S 0.72994 0.49954 0.49998 1.00000
S4 S 0.23043 0.99920 0.50099 1.00000
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