KGaCl4
Alexandria ALEXAlex-ID: agm005754145 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1587_spg8
KGaCl4
2023-07-27 22:50:13.497576
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754145).
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 agm005754145
data_agm005754145
_cell_length_a 5.42802
_cell_length_b 5.42082
_cell_length_c 7.08746
_cell_angle_alpha 75.12301
_cell_angle_beta 75.08083
_cell_angle_gamma 82.91090
_cell_volume 194.39171
_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 0.50132 0.49727 0.99808 1.00000
Ga1 Ga 0.00130 0.99725 0.49810 1.00000
Cl1 Cl 0.37583 0.92466 0.28005 1.00000
Cl2 Cl 0.62687 0.07003 0.71632 1.00000
Cl3 Cl 0.07386 0.62277 0.71643 1.00000
Cl4 Cl 0.92861 0.37175 0.27984 1.00000
Get direct link