Sb(Pd3Pt)2
Alexandria ALEXAlex-ID: agm005650097 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_678_spg71
SbPd5 PdPt4 Pd2Pt3
2023-07-09 04:10:00.513865
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005650097).
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 agm005650097
data_agm005650097
_cell_length_a 4.69232
_cell_length_b 6.09762
_cell_length_c 6.09762
_cell_angle_alpha 78.09900
_cell_angle_beta 67.38622
_cell_angle_gamma 67.38624
_cell_volume 148.32033
_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 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.16946 0.51133 0.15066 1.00000
Pd2 Pd 0.83054 0.84934 0.48867 1.00000
Pd3 Pd 0.83054 0.48867 0.84934 1.00000
Pd4 Pd 0.50000 0.81579 0.18421 1.00000
Pd5 Pd 0.16946 0.15066 0.51133 1.00000
Pd6 Pd 0.50000 0.18421 0.81579 1.00000
Pt1 Pt 0.66892 0.33175 0.33175 1.00000
Pt2 Pt 0.33108 0.66825 0.66825 1.00000
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