UAl7Au2
Alexandria ALEXAlex-ID: agm044774190 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1867_spg139
UAl2 Al2Au Al
2024-09-13 11:19:29.689170
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044774190).
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 agm044774190
data_agm044774190
_cell_length_a 10.58362
_cell_length_b 10.58362
_cell_length_c 10.58362
_cell_angle_alpha 156.52826
_cell_angle_beta 156.52826
_cell_angle_gamma 33.43481
_cell_volume 187.89352
_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 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.25000 0.75000 0.50000 1.00000
Al3 Al 0.75000 0.25000 0.50000 1.00000
Al4 Al 0.10139 0.60139 0.50000 1.00000
Al5 Al 0.60139 0.10139 0.50000 1.00000
Al6 Al 0.89861 0.39861 0.50000 1.00000
Al7 Al 0.39861 0.89861 0.50000 1.00000
Au1 Au 0.32522 0.32522 0.00000 1.00000
Au2 Au 0.67478 0.67478 0.00000 1.00000
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