Hg2Pd2Au5
Alexandria ALEXAlex-ID: agm005568005 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_489_spg12
PdAu17 Hg2(PdAu)3 Hg2Pd
2023-06-03 04:53:35.961138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005568005).
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 agm005568005
data_agm005568005
_cell_length_a 5.85934
_cell_length_b 7.53130
_cell_length_c 7.53145
_cell_angle_alpha 31.58291
_cell_angle_beta 84.52335
_cell_angle_gamma 84.52405
_cell_volume 173.20476
_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 0.66730 0.58675 0.58671 1.00000
Hg2 Hg 0.33270 0.41325 0.41329 1.00000
Pd1 Pd 0.11382 0.80403 0.80405 1.00000
Pd2 Pd 0.88618 0.19597 0.19595 1.00000
Au1 Au 0.17518 0.60808 0.60817 1.00000
Au2 Au 0.61582 0.79726 0.79728 1.00000
Au3 Au 0.38418 0.20274 0.20272 1.00000
Au4 Au 0.82482 0.39192 0.39183 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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