K6AgCl8
Alexandria ALEXAlex-ID: agm005998091 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_87_spg148
KAgCl3 KCl
2023-08-31 02:37:17.078263
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998091).
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 agm005998091
data_agm005998091
_cell_length_a 9.00078
_cell_length_b 9.00078
_cell_length_c 9.00078
_cell_angle_alpha 101.58760
_cell_angle_beta 101.58760
_cell_angle_gamma 101.58761
_cell_volume 677.30242
_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 0.53740 0.34038 0.14859 1.00000
K2 K 0.14859 0.53740 0.34038 1.00000
K3 K 0.34038 0.14859 0.53740 1.00000
K4 K 0.46260 0.65962 0.85141 1.00000
K5 K 0.85141 0.46260 0.65962 1.00000
K6 K 0.65962 0.85141 0.46260 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.19426 0.19426 0.19426 1.00000
Cl2 Cl 0.80574 0.80574 0.80574 1.00000
Cl3 Cl 0.17020 0.40297 0.63716 1.00000
Cl4 Cl 0.63716 0.17020 0.40297 1.00000
Cl5 Cl 0.40297 0.63716 0.17020 1.00000
Cl6 Cl 0.82980 0.59703 0.36284 1.00000
Cl7 Cl 0.36284 0.82980 0.59703 1.00000
Cl8 Cl 0.59703 0.36284 0.82980 1.00000
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