In4Au
Alexandria ALEXAlex-ID: agm005407451 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_261_spg139
In2Au In
2023-03-17 16:01:24.707422
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005407451).
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 agm005407451
data_agm005407451
_cell_length_a 8.61370
_cell_length_b 8.61370
_cell_length_c 8.61370
_cell_angle_alpha 152.39987
_cell_angle_beta 152.39987
_cell_angle_gamma 39.42965
_cell_volume 136.93001
_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 0.75000 0.25000 0.50000 1.00000
In2 In 0.25000 0.75000 0.50000 1.00000
In3 In 0.58931 0.58931 0.00000 1.00000
In4 In 0.41069 0.41069 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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