UAl5Cu6
Alexandria ALEXAlex-ID: agm005236401 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_207_spg70
UAl5Cu6
2023-05-09 10:30:00.192859
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236401).
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 agm005236401
data_agm005236401
_cell_length_a 10.32762
_cell_length_b 8.19451
_cell_length_c 7.82662
_cell_angle_alpha 80.23932
_cell_angle_beta 51.44126
_cell_angle_gamma 48.31941
_cell_volume 351.16621
_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 0.00000 0.00000 0.00000 1.00000
U2 U 0.25000 0.25000 0.25000 1.00000
Al1 Al 0.50000 0.50000 0.50000 1.00000
Al2 Al 0.75000 0.75000 0.75000 1.00000
Al3 Al 0.07158 0.75395 0.33806 1.00000
Al4 Al 0.33806 0.83641 0.07158 1.00000
Al5 Al 0.75395 0.07158 0.83641 1.00000
Al6 Al 0.83641 0.33806 0.75395 1.00000
Al7 Al 0.17842 0.49605 0.91194 1.00000
Al8 Al 0.91194 0.41359 0.17842 1.00000
Al9 Al 0.49605 0.17842 0.41359 1.00000
Al10 Al 0.41359 0.91194 0.49605 1.00000
Cu1 Cu 0.12500 0.62500 0.62500 1.00000
Cu2 Cu 0.62500 0.62500 0.12500 1.00000
Cu3 Cu 0.62500 0.12500 0.62500 1.00000
Cu4 Cu 0.62500 0.62500 0.62500 1.00000
Cu5 Cu 0.43482 0.49241 0.89013 1.00000
Cu6 Cu 0.89013 0.18264 0.43482 1.00000
Cu7 Cu 0.49241 0.43482 0.18264 1.00000
Cu8 Cu 0.18264 0.89013 0.49241 1.00000
Cu9 Cu 0.81518 0.75759 0.35987 1.00000
Cu10 Cu 0.35987 0.06736 0.81518 1.00000
Cu11 Cu 0.75759 0.81518 0.06736 1.00000
Cu12 Cu 0.06736 0.35987 0.75759 1.00000
