K3(InAu)8
Alexandria ALEXAlex-ID: agm005221276 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8C8_116_spg6
K(InAu)4 K(InAu)2
2024-10-05 20:46:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221276).
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 agm005221276
data_agm005221276
_cell_length_a 5.63970
_cell_length_b 13.31895
_cell_length_c 13.37924
_cell_angle_alpha 90.00000
_cell_angle_beta 90.25168
_cell_angle_gamma 90.00000
_cell_volume 1004.96948
_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 0.25686 0.97429 0.46458 1.00000
K2 K 0.25686 0.52571 0.46458 1.00000
K3 K 0.73692 0.00217 0.00056 1.00000
K4 K 0.73692 0.49783 0.00056 1.00000
K5 K 0.75914 0.02547 0.53630 1.00000
K6 K 0.75914 0.47453 0.53630 1.00000
In1 In 0.98344 0.12677 0.76219 1.00000
In2 In 0.98344 0.37323 0.76219 1.00000
In3 In 0.46703 0.75000 0.11668 1.00000
In4 In 0.48788 0.75000 0.36360 1.00000
In5 In 0.02290 0.87409 0.23892 1.00000
In6 In 0.02290 0.62591 0.23892 1.00000
In7 In 0.51730 0.25000 0.87991 1.00000
In8 In 0.51644 0.25000 0.63452 1.00000
In9 In 0.62860 0.62747 0.74582 1.00000
In10 In 0.62860 0.87253 0.74582 1.00000
In11 In 0.12607 0.75000 0.62010 1.00000
In12 In 0.13500 0.75000 0.86977 1.00000
In13 In 0.36778 0.37365 0.25015 1.00000
In14 In 0.36778 0.12635 0.25015 1.00000
In15 In 0.87149 0.25000 0.38163 1.00000
In16 In 0.87088 0.25000 0.13466 1.00000
Au1 Au 0.48379 0.07516 0.75589 1.00000
Au2 Au 0.48379 0.42484 0.75589 1.00000
Au3 Au 0.97495 0.75000 0.06869 1.00000
Au4 Au 0.98568 0.75000 0.41573 1.00000
Au5 Au 0.51950 0.92394 0.24322 1.00000
Au6 Au 0.51950 0.57606 0.24322 1.00000
Au7 Au 0.01264 0.25000 0.93391 1.00000
Au8 Au 0.01912 0.25000 0.58492 1.00000
Au9 Au 0.12158 0.57528 0.74034 1.00000
Au10 Au 0.12158 0.92472 0.74034 1.00000
Au11 Au 0.61909 0.75000 0.56757 1.00000
Au12 Au 0.62439 0.75000 0.91791 1.00000
Au13 Au 0.87623 0.42496 0.26163 1.00000
Au14 Au 0.87623 0.07504 0.26163 1.00000
Au15 Au 0.37881 0.25000 0.43002 1.00000
Au16 Au 0.37973 0.25000 0.07974 1.00000
