Al2PdAu
Alexandria ALEXAlex-ID: agm003612972 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_4782_spg12
AlPd AlAu
2022-04-14 02:41:14.926098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003612972).
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 agm003612972
data_agm003612972
_cell_length_a 7.38919
_cell_length_b 8.66704
_cell_length_c 6.07520
_cell_angle_alpha 137.01144
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 265.28845
_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
Al1 Al 0.32192 0.08964 0.64643 1.00000
Al2 Al 0.17820 0.90999 0.85324 1.00000
Al3 Al 0.82192 0.41036 0.85357 1.00000
Al4 Al 0.67808 0.91036 0.35357 1.00000
Al5 Al 0.82180 0.09001 0.14676 1.00000
Al6 Al 0.67820 0.59001 0.64676 1.00000
Al7 Al 0.32180 0.40999 0.35324 1.00000
Al8 Al 0.17808 0.58964 0.14643 1.00000
Pd1 Pd 0.03699 0.24974 0.99960 1.00000
Pd2 Pd 0.46301 0.74974 0.49960 1.00000
Pd3 Pd 0.96301 0.75026 0.00040 1.00000
Pd4 Pd 0.53699 0.25026 0.50040 1.00000
Au1 Au 0.62323 0.25022 0.00017 1.00000
Au2 Au 0.12323 0.24978 0.49983 1.00000
Au3 Au 0.37677 0.74978 0.99983 1.00000
Au4 Au 0.87677 0.75022 0.50017 1.00000
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