KSCl
Alexandria ALEXAlex-ID: agm005692846 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8412_spg14
KS14Cl KCl
2023-06-18 12:24:55.526138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692846).
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 agm005692846
data_agm005692846
_cell_length_a 4.44755
_cell_length_b 8.88266
_cell_length_c 11.24691
_cell_angle_alpha 96.54406
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00002
_cell_volume 441.42598
_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 0.74907 0.39570 0.64111 1.00000
K2 K 0.24907 0.10430 0.35889 1.00000
K3 K 0.25093 0.60430 0.35889 1.00000
K4 K 0.75093 0.89570 0.64111 1.00000
S1 S 0.41708 0.05199 0.93794 1.00000
S2 S 0.91708 0.44801 0.06206 1.00000
S3 S 0.58292 0.94801 0.06206 1.00000
S4 S 0.08292 0.55199 0.93794 1.00000
Cl1 Cl 0.74924 0.35345 0.35700 1.00000
Cl2 Cl 0.24924 0.14655 0.64300 1.00000
Cl3 Cl 0.25076 0.64655 0.64300 1.00000
Cl4 Cl 0.75076 0.85345 0.35700 1.00000
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