In2GaAu6
Alexandria ALEXAlex-ID: agm005667598 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1756_spg38
InAu2 GaAu2
2023-07-07 05:42:35.491625
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667598).
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 agm005667598
data_agm005667598
_cell_length_a 3.87885
_cell_length_b 6.58734
_cell_length_c 7.88839
_cell_angle_alpha 114.67901
_cell_angle_beta 90.07199
_cell_angle_gamma 89.99991
_cell_volume 183.14813
_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
In1 In 0.00031 0.28264 0.62005 1.00000
In2 In 0.99970 0.66259 0.37995 1.00000
Ga1 Ga 0.50000 0.05497 0.00000 1.00000
Au1 Au 0.49999 0.63772 0.00000 1.00000
Au2 Au 0.49990 0.33819 0.36477 1.00000
Au3 Au 0.50010 0.97342 0.63523 1.00000
Au4 Au 0.99999 0.32661 0.00000 1.00000
Au5 Au 0.99983 0.75116 0.77842 1.00000
Au6 Au 0.00017 0.97274 0.22158 1.00000
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