Y3U5Al2
Alexandria ALEXAlex-ID: agm011933767 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_819_spg2
Y2Al U YAl
2024-07-02 03:38:58.300482
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011933767).
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 agm011933767
data_agm011933767
_cell_length_a 8.17797
_cell_length_b 8.02701
_cell_length_c 8.63346
_cell_angle_alpha 93.04849
_cell_angle_beta 88.26309
_cell_angle_gamma 120.46438
_cell_volume 487.80409
_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
Y1 Y 0.09317 0.85271 0.83398 1.00000
Y2 Y 0.90683 0.14729 0.16602 1.00000
Y3 Y 0.07620 0.82890 0.44589 1.00000
Y4 Y 0.92380 0.17110 0.55411 1.00000
Y5 Y 0.33100 0.35011 0.85590 1.00000
Y6 Y 0.66900 0.64989 0.14410 1.00000
U1 U 0.73527 0.49612 0.67600 1.00000
U2 U 0.26473 0.50388 0.32400 1.00000
U3 U 0.42187 0.81821 0.98798 1.00000
U4 U 0.38513 0.29296 0.42762 1.00000
U5 U 0.57813 0.18179 0.01202 1.00000
U6 U 0.61487 0.70704 0.57238 1.00000
U7 U 0.28369 0.09789 0.17022 1.00000
U8 U 0.71631 0.90211 0.82978 1.00000
U9 U 0.26137 0.61416 0.60085 1.00000
U10 U 0.73863 0.38584 0.39915 1.00000
Al1 Al 0.00959 0.59833 0.13039 1.00000
Al2 Al 0.99041 0.40167 0.86961 1.00000
Al3 Al 0.49182 0.05627 0.65674 1.00000
Al4 Al 0.50818 0.94373 0.34326 1.00000
Get direct link