K2In3Au
Alexandria ALEXAlex-ID: agm017447380 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_207_spg8
KIn2Au K3(InAu)4 K8In11
2025-04-13 16:20:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017447380).
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 agm017447380
data_agm017447380
_cell_length_a 6.46891
_cell_length_b 6.46891
_cell_length_c 8.59243
_cell_angle_alpha 49.44361
_cell_angle_beta 130.55639
_cell_angle_gamma 133.04864
_cell_volume 185.33624
_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 0.42538 0.57462 0.68236 1.00000
K2 K 0.57987 0.42013 0.32712 1.00000
In1 In 0.14081 0.85919 0.71052 1.00000
In2 In 0.17654 0.82346 0.09714 1.00000
In3 In 0.83315 0.16685 0.92175 1.00000
Au1 Au 0.83905 0.16095 0.26111 1.00000
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