K5(AuI6)2
Alexandria ALEXAlex-ID: agm005647604 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_409_spg12
KI3 KAuI3 KI
2023-06-25 23:30:56.017153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647604).
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 agm005647604
data_agm005647604
_cell_length_a 9.85546
_cell_length_b 10.12272
_cell_length_c 12.78351
_cell_angle_alpha 124.81110
_cell_angle_beta 112.67326
_cell_angle_gamma 89.99999
_cell_volume 924.52021
_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 0.67383 0.49549 0.34767 1.00000
K2 K 0.73491 0.97881 0.46981 1.00000
K3 K 0.00000 0.50000 0.00000 1.00000
K4 K 0.26509 0.02119 0.53019 1.00000
K5 K 0.32617 0.50451 0.65233 1.00000
Au1 Au 0.34965 0.00000 0.00000 1.00000
Au2 Au 0.65035 1.00000 1.00000 1.00000
I1 I 0.13812 0.12979 0.27624 1.00000
I2 I 0.81425 0.12725 0.26957 1.00000
I3 I 0.45531 0.12725 0.26957 1.00000
I4 I 0.93643 0.68416 0.32238 1.00000
I5 I 0.38595 0.68416 0.32238 1.00000
I6 I 0.48412 0.34593 0.96824 1.00000
I7 I 0.51588 0.65407 0.03176 1.00000
I8 I 0.06357 0.31584 0.67762 1.00000
I9 I 0.61405 0.31584 0.67762 1.00000
I10 I 0.18575 0.87275 0.73043 1.00000
I11 I 0.54469 0.87275 0.73043 1.00000
I12 I 0.86188 0.87021 0.72376 1.00000
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