Cu(HgPd)3
Alexandria ALEXAlex-ID: agm005991608 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_610_spg65
CuHg3Pd4 Hg2Pd Cu2Pd
2023-08-07 19:19:47.166461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991608).
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 agm005991608
data_agm005991608
_cell_length_a 6.35662
_cell_length_b 6.35662
_cell_length_c 6.38981
_cell_angle_alpha 90.01334
_cell_angle_beta 90.01334
_cell_angle_gamma 87.30999
_cell_volume 257.90655
_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
Cu1 Cu 0.24945 0.24945 0.99914 1.00000
Cu2 Cu 0.75055 0.75055 0.00086 1.00000
Hg1 Hg 0.25535 0.25535 0.50099 1.00000
Hg2 Hg 0.26246 0.73754 0.50000 1.00000
Hg3 Hg 0.73754 0.26246 0.50000 1.00000
Hg4 Hg 0.30897 0.69103 0.00000 1.00000
Hg5 Hg 0.69103 0.30897 0.00000 1.00000
Hg6 Hg 0.74465 0.74465 0.49901 1.00000
Pd1 Pd 0.99955 0.99955 0.77952 1.00000
Pd2 Pd 0.49947 0.00047 0.23295 1.00000
Pd3 Pd 0.00047 0.49947 0.23295 1.00000
Pd4 Pd 0.50053 0.99953 0.76705 1.00000
Pd5 Pd 0.99953 0.50053 0.76705 1.00000
Pd6 Pd 0.00046 0.00046 0.22048 1.00000
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