Ag12Pd2Au5
Alexandria ALEXAlex-ID: agm005648822 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_247_spg12
Ag2PdAu Ag12PdAu5 Ag
2023-06-26 03:17:00.061436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648822).
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 agm005648822
data_agm005648822
_cell_length_a 4.21094
_cell_length_b 10.89836
_cell_length_c 10.89836
_cell_angle_alpha 45.16259
_cell_angle_beta 78.80180
_cell_angle_gamma 78.80182
_cell_volume 346.72844
_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
Ag1 Ag 0.09921 0.89979 0.89979 1.00000
Ag2 Ag 0.19731 0.54840 0.05639 1.00000
Ag3 Ag 0.19731 0.05639 0.54840 1.00000
Ag4 Ag 0.59413 0.64554 0.16592 1.00000
Ag5 Ag 0.59413 0.16592 0.64554 1.00000
Ag6 Ag 0.08654 0.41260 0.41260 1.00000
Ag7 Ag 0.91346 0.58740 0.58740 1.00000
Ag8 Ag 0.40587 0.35446 0.83408 1.00000
Ag9 Ag 0.40587 0.83408 0.35446 1.00000
Ag10 Ag 0.80269 0.45160 0.94361 1.00000
Ag11 Ag 0.80269 0.94361 0.45160 1.00000
Ag12 Ag 0.90079 0.10021 0.10021 1.00000
Pd1 Pd 0.00000 0.23783 0.76217 1.00000
Pd2 Pd 1.00000 0.76217 0.23783 1.00000
Au1 Au 0.30187 0.19861 0.19861 1.00000
Au2 Au 0.69608 0.30283 0.30283 1.00000
Au3 Au 0.50000 0.00000 0.00000 1.00000
Au4 Au 0.30392 0.69717 0.69717 1.00000
Au5 Au 0.69813 0.80139 0.80139 1.00000
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