Hg(PdAu2)3
Alexandria ALEXAlex-ID: agm006014091 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1432_spg6
PdAu3 Hg2(PdAu)3
2023-09-19 18:45:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014091).
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
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# CIF generated by HEAS from Alexandria entry agm006014091
data_agm006014091
_cell_length_a 2.95828
_cell_length_b 8.71105
_cell_length_c 10.10581
_cell_angle_alpha 132.47868
_cell_angle_beta 107.48897
_cell_angle_gamma 90.06785
_cell_volume 175.30898
_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
Hg1 Hg 0.86361 0.90451 0.94803 1.00000
Pd1 Pd 0.65777 0.29569 0.74388 1.00000
Pd2 Pd 0.86658 0.89788 0.45001 1.00000
Pd3 Pd 0.47608 0.70902 0.55654 1.00000
Au1 Au 0.25939 0.10660 0.84213 1.00000
Au2 Au 0.45876 0.68584 0.04441 1.00000
Au3 Au 0.26287 0.08785 0.34828 1.00000
Au4 Au 0.07464 0.50560 0.15776 1.00000
Au5 Au 0.06106 0.49311 0.64689 1.00000
Au6 Au 0.68024 0.31389 0.26206 1.00000
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