Ac3Ga3Au8
Alexandria ALEXAlex-ID: agm005687672 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
AcGa2Au3 AcAu3 Ac(GaAu)2
2023-06-29 10:11:39.617221
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687672).
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 agm005687672
data_agm005687672
_cell_length_a 4.72950
_cell_length_b 8.92930
_cell_length_c 8.91564
_cell_angle_alpha 63.40486
_cell_angle_beta 74.61900
_cell_angle_gamma 74.64311
_cell_volume 319.92665
_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
Ac1 Ac 0.29553 0.72943 0.67950 1.00000
Ac2 Ac 0.70447 0.27057 0.32050 1.00000
Ac3 Ac 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.00000 0.50000 0.50000 1.00000
Ga2 Ga 0.66934 0.67126 0.99006 1.00000
Ga3 Ga 0.33066 0.32874 0.00994 1.00000
Au1 Au 0.12024 0.16619 0.59333 1.00000
Au2 Au 0.87976 0.83381 0.40667 1.00000
Au3 Au 0.85733 0.42918 0.85616 1.00000
Au4 Au 0.14267 0.57082 0.14384 1.00000
Au5 Au 0.51161 0.66889 0.30790 1.00000
Au6 Au 0.48839 0.33111 0.69210 1.00000
Au7 Au 0.35600 0.02873 0.25928 1.00000
Au8 Au 0.64400 0.97127 0.74072 1.00000
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