Hg3Pd3Pt
Alexandria ALEXAlex-ID: agm005990314 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_294_spg65
HgPd Pt
2023-08-06 12:30:45.401870
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990314).
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 agm005990314
data_agm005990314
_cell_length_a 6.62542
_cell_length_b 6.62542
_cell_length_c 6.02968
_cell_angle_alpha 89.98742
_cell_angle_beta 89.98742
_cell_angle_gamma 89.49216
_cell_volume 264.66913
_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 0.26093 0.26093 0.50003 1.00000
Hg2 Hg 0.25376 0.74624 0.50000 1.00000
Hg3 Hg 0.74624 0.25376 0.50000 1.00000
Hg4 Hg 0.31688 0.68312 1.00000 1.00000
Hg5 Hg 0.68312 0.31688 0.00000 1.00000
Hg6 Hg 0.73907 0.73907 0.49997 1.00000
Pd1 Pd 0.99993 0.99993 0.76877 1.00000
Pd2 Pd 0.49987 0.00002 0.24324 1.00000
Pd3 Pd 0.00002 0.49987 0.24324 1.00000
Pd4 Pd 0.50013 0.99998 0.75676 1.00000
Pd5 Pd 0.99998 0.50013 0.75676 1.00000
Pd6 Pd 0.00007 0.00007 0.23123 1.00000
Pt1 Pt 0.25585 0.25585 0.99975 1.00000
Pt2 Pt 0.74415 0.74415 0.00025 1.00000
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