In3Au7
Alexandria ALEXAlex-ID: agm007802159 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_68_spg2
InAu2 In3Au10
2024-03-17 04:29:05.301837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007802159).
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 agm007802159
data_agm007802159
_cell_length_a 4.64238
_cell_length_b 3.31584
_cell_length_c 12.84446
_cell_angle_alpha 82.44443
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 196.00293
_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 0.50000 0.47731 0.04557 1.00000
In2 In 0.00000 0.21901 0.56486 1.00000
In3 In 0.50000 0.08689 0.81864 1.00000
Au1 Au 0.00000 0.01208 0.96995 1.00000
Au2 Au 0.50000 0.88236 0.23714 1.00000
Au3 Au 0.00000 0.81895 0.36902 1.00000
Au4 Au 0.50000 0.69111 0.62277 1.00000
Au5 Au 0.00000 0.60893 0.76937 1.00000
Au6 Au 0.00000 0.41583 0.17401 1.00000
Au7 Au 0.50000 0.28754 0.42866 1.00000
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