K2InAuCl6
Alexandria ALEXAlex-ID: agm005506433 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
KInCl4 K3InCl6 KAuCl3 Au
2023-03-20 05:04:53.532015
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506433).
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
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# CIF generated by HEAS from Alexandria entry agm005506433
data_agm005506433
_cell_length_a 7.42633
_cell_length_b 7.42633
_cell_length_c 7.42633
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 289.60574
_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 0.75000 0.75000 0.75000 1.00000
K2 K 0.25000 0.25000 0.25000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.50000 0.50000 0.50000 1.00000
Cl1 Cl 0.24397 0.75603 0.24397 1.00000
Cl2 Cl 0.75603 0.24397 0.24397 1.00000
Cl3 Cl 0.75603 0.24397 0.75603 1.00000
Cl4 Cl 0.24397 0.24397 0.75603 1.00000
Cl5 Cl 0.75603 0.75603 0.24397 1.00000
Cl6 Cl 0.24397 0.75603 0.75603 1.00000
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