Sn8Pd2Pt
Alexandria ALEXAlex-ID: agm005995747 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1916_spg2
Sn4Pt Sn2Pd
2023-09-29 11:52:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995747).
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 agm005995747
data_agm005995747
_cell_length_a 5.34728
_cell_length_b 6.37084
_cell_length_c 9.09517
_cell_angle_alpha 114.90926
_cell_angle_beta 81.33375
_cell_angle_gamma 103.88950
_cell_volume 272.36943
_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
Sn1 Sn 0.28141 0.70833 0.45005 1.00000
Sn2 Sn 0.71859 0.29167 0.54993 1.00000
Sn3 Sn 0.60802 0.74178 0.11178 1.00000
Sn4 Sn 0.23732 0.08671 0.27038 1.00000
Sn5 Sn 0.20699 0.64010 0.78174 1.00000
Sn6 Sn 0.39198 0.25822 0.88820 1.00000
Sn7 Sn 0.76268 0.91329 0.72961 1.00000
Sn8 Sn 0.79301 0.35990 0.21824 1.00000
Pd1 Pd 0.17953 0.17632 0.60663 1.00000
Pd2 Pd 0.82047 0.82368 0.39336 1.00000
Pt1 Pt 0.00000 1.00000 0.99999 1.00000
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