U2InAu3
Alexandria ALEXAlex-ID: agm019287773 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_452_spg2
U2InAu3
2025-04-15 06:00:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019287773).
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 agm019287773
data_agm019287773
_cell_length_a 9.91682
_cell_length_b 9.10136
_cell_length_c 5.78592
_cell_angle_alpha 80.17682
_cell_angle_beta 64.73116
_cell_angle_gamma 35.09202
_cell_volume 254.95559
_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
U1 U 0.25000 0.25000 0.25000 1.00000
U2 U 0.22825 0.77175 0.77175 1.00000
U3 U 0.75000 0.75000 0.75000 1.00000
U4 U 0.77175 0.22825 0.22825 1.00000
In1 In 0.66499 0.66499 0.33501 1.00000
In2 In 0.33501 0.33501 0.66499 1.00000
Au1 Au 0.82932 0.33656 0.66344 1.00000
Au2 Au 0.66344 0.17068 0.82932 1.00000
Au3 Au 0.17068 0.66344 0.33656 1.00000
Au4 Au 0.33656 0.82932 0.17068 1.00000
Au5 Au 0.16745 0.16745 0.83255 1.00000
Au6 Au 0.83255 0.83255 0.16745 1.00000
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