AuI
Alexandria ALEXAlex-ID: agm071290544 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_2617_spg19
AuI
2025-01-29 22:45:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071290544).
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 agm071290544
data_agm071290544
_cell_length_a 5.36734
_cell_length_b 10.31417
_cell_length_c 16.46148
_cell_angle_alpha 130.16473
_cell_angle_beta 68.74587
_cell_angle_gamma 93.32752
_cell_volume 628.96622
_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
Au1 Au 0.67601 0.79023 0.87965 1.00000
Au2 Au 0.56535 0.96881 0.37943 1.00000
Au3 Au 0.89342 0.75670 0.59873 1.00000
Au4 Au 0.90914 0.44065 0.09841 1.00000
Au5 Au 0.05014 0.03780 0.89837 1.00000
Au6 Au 0.15338 0.75899 0.39833 1.00000
Au7 Au 0.86621 0.74303 0.11502 1.00000
Au8 Au 0.90313 0.48755 0.61555 1.00000
I1 I 0.73093 0.02409 0.52791 1.00000
I2 I 0.21326 0.03156 0.02793 1.00000
I3 I 0.30191 0.47893 0.96764 1.00000
I4 I 0.76208 0.45706 0.46820 1.00000
I5 I 0.42805 0.00163 0.25400 1.00000
I6 I 0.06339 0.50652 0.75445 1.00000
I7 I 0.97087 0.05689 0.75820 1.00000
I8 I 0.51273 0.45957 0.25816 1.00000
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