Sb(Pd3Au)2
Alexandria ALEXAlex-ID: agm005677943 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1361_spg44
Sb(Pd4Au)2 SbPd5Au2
2023-07-09 04:33:02.781364
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677943).
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 agm005677943
data_agm005677943
_cell_length_a 4.17563
_cell_length_b 7.78989
_cell_length_c 7.78989
_cell_angle_alpha 42.17648
_cell_angle_beta 74.38755
_cell_angle_gamma 74.38755
_cell_volume 162.89708
_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
Sb1 Sb 0.07839 0.92189 0.92189 1.00000
Pd1 Pd 0.68468 0.05884 0.57156 1.00000
Pd2 Pd 0.29887 0.96339 0.43925 1.00000
Pd3 Pd 0.29887 0.43925 0.96339 1.00000
Pd4 Pd 0.48774 0.76277 0.26138 1.00000
Pd5 Pd 0.48774 0.26138 0.76277 1.00000
Pd6 Pd 0.68468 0.57156 0.05884 1.00000
Au1 Au 0.88295 0.61729 0.61729 1.00000
Au2 Au 0.09607 0.40364 0.40364 1.00000
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