Hg3(PdAu)4
Alexandria ALEXAlex-ID: agm005709343 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
PdAu17 Hg2(PdAu)3 Hg2Pd
2023-07-02 01:27:37.482502
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709343).
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 agm005709343
data_agm005709343
_cell_length_a 3.05180
_cell_length_b 3.96509
_cell_length_c 16.39590
_cell_angle_alpha 96.97066
_cell_angle_beta 95.47598
_cell_angle_gamma 89.85585
_cell_volume 196.02766
_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 0.63784 0.63764 0.27623 1.00000
Hg2 Hg 0.36212 0.36238 0.72377 1.00000
Hg3 Hg 0.00001 0.00001 0.99999 1.00000
Pd1 Pd 0.54557 0.54546 0.09156 1.00000
Pd2 Pd 0.45443 0.45455 0.90841 1.00000
Pd3 Pd 0.81786 0.81786 0.63501 1.00000
Pd4 Pd 0.18209 0.18218 0.36501 1.00000
Au1 Au 0.09030 0.08935 0.18001 1.00000
Au2 Au 0.27203 0.27222 0.54406 1.00000
Au3 Au 0.72791 0.72782 0.45597 1.00000
Au4 Au 0.90969 0.91066 0.81997 1.00000
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