K(AuI2)4
Alexandria ALEXAlex-ID: agm097364553 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1157_spg8
AuI3 KAuI3 AuI
2025-06-16 09:03:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097364553).
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 agm097364553
data_agm097364553
_cell_length_a 4.75582
_cell_length_b 11.27569
_cell_length_c 12.58401
_cell_angle_alpha 105.79123
_cell_angle_beta 98.18912
_cell_angle_gamma 79.16482
_cell_volume 634.79341
_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 0.22306 0.04039 0.01717 1.00000
Au1 Au 0.92085 0.76360 0.98885 1.00000
Au2 Au 0.93221 0.85821 0.45597 1.00000
Au3 Au 0.94085 0.49628 0.01800 1.00000
Au4 Au 0.01280 0.48642 0.46281 1.00000
I1 I 0.77168 0.28913 0.42016 1.00000
I2 I 0.73026 0.30220 0.89781 1.00000
I3 I 0.40973 0.97474 0.42967 1.00000
I4 I 0.71847 0.86853 0.82973 1.00000
I5 I 0.67233 0.26067 0.15234 1.00000
I6 I 0.70878 0.31210 0.65836 1.00000
I7 I 0.15478 0.67953 0.15991 1.00000
I8 I 0.30421 0.66819 0.50923 1.00000
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