Ba2ZnPdAu6
Alexandria ALEXAlex-ID: agm004932100 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_393_spg12
BaAu5 BaAu2 ZnPd
2023-01-16 01:19:31.899028
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004932100).
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 agm004932100
data_agm004932100
_cell_length_a 5.62272
_cell_length_b 9.19617
_cell_length_c 7.34823
_cell_angle_alpha 49.95042
_cell_angle_beta 67.50555
_cell_angle_gamma 89.99894
_cell_volume 251.92192
_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
Ba1 Ba 0.76735 0.22012 0.46509 1.00000
Ba2 Ba 0.23265 0.77988 0.53491 1.00000
Zn1 Zn 1.00000 1.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 1.00000 1.00000
Au1 Au 0.24976 0.38711 0.50021 1.00000
Au2 Au 0.73414 0.74835 0.02544 1.00000
Au3 Au 0.24087 0.74856 0.02532 1.00000
Au4 Au 0.75913 0.25144 0.97468 1.00000
Au5 Au 0.26586 0.25165 0.97456 1.00000
Au6 Au 0.75024 0.61289 0.49980 1.00000
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