AgAuI3
Alexandria ALEXAlex-ID: agm005803952 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_392_spg12
AuI3 AuI AgI
2023-07-02 18:21:17.553324
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803952).
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
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# CIF generated by HEAS from Alexandria entry agm005803952
data_agm005803952
_cell_length_a 4.18236
_cell_length_b 9.34442
_cell_length_c 10.91284
_cell_angle_alpha 111.26127
_cell_angle_beta 90.00000
_cell_angle_gamma 102.93170
_cell_volume 385.83434
_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 0.05048 0.10095 0.34037 1.00000
Ag2 Ag 0.94952 0.89905 0.65963 1.00000
Au1 Au 0.37970 0.75940 0.02850 1.00000
Au2 Au 0.62030 0.24060 0.97150 1.00000
I1 I 0.63200 0.26400 0.49811 1.00000
I2 I 0.36800 0.73600 0.50189 1.00000
I3 I 0.12991 0.25983 0.14766 1.00000
I4 I 0.87009 0.74017 0.85234 1.00000
I5 I 0.88637 0.77275 0.20523 1.00000
I6 I 0.11363 0.22725 0.79477 1.00000
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