Ag2Au3I8
Alexandria ALEXAlex-ID: agm005647817 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_282_spg15
AuI3 AuI AgI
2023-06-15 18:43:02.955730
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647817).
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 agm005647817
data_agm005647817
_cell_length_a 7.09189
_cell_length_b 9.03568
_cell_length_c 19.12275
_cell_angle_alpha 81.18418
_cell_angle_beta 89.99999
_cell_angle_gamma 113.10630
_cell_volume 1111.32749
_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
Ag1 Ag 0.91251 0.37026 0.82563 1.00000
Ag2 Ag 0.54225 0.62974 0.67437 1.00000
Ag3 Ag 0.08749 0.62974 0.17437 1.00000
Ag4 Ag 0.45775 0.37026 0.32563 1.00000
Au1 Au 0.12133 1.00000 0.25000 1.00000
Au2 Au 0.87867 0.00000 0.75000 1.00000
Au3 Au 0.96654 0.45397 0.62538 1.00000
Au4 Au 0.51257 0.54603 0.87462 1.00000
Au5 Au 0.03346 0.54603 0.37462 1.00000
Au6 Au 0.48743 0.45397 0.12538 1.00000
I1 I 0.26468 0.58828 0.04786 1.00000
I2 I 0.67640 0.41172 0.45214 1.00000
I3 I 0.73532 0.41172 0.95214 1.00000
I4 I 0.32360 0.58828 0.54786 1.00000
I5 I 0.68714 0.32119 0.21716 1.00000
I6 I 0.36595 0.67881 0.28284 1.00000
I7 I 0.31286 0.67881 0.78284 1.00000
I8 I 0.63405 0.32119 0.71716 1.00000
I9 I 0.17670 0.14283 0.11901 1.00000
I10 I 0.03386 0.85717 0.38099 1.00000
I11 I 0.20016 0.23658 0.87726 1.00000
I12 I 0.96358 0.76342 0.62274 1.00000
I13 I 0.79984 0.76342 0.12274 1.00000
I14 I 0.03642 0.23658 0.37726 1.00000
I15 I 0.96614 0.14283 0.61901 1.00000
I16 I 0.82330 0.85717 0.88099 1.00000
