SnPd8Pt5
Alexandria ALEXAlex-ID: agm003680997 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
SnPd5 Pd2Pt3 SnPd3
2022-04-10 14:25:57.617617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003680997).
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 agm003680997
data_agm003680997
_cell_length_a 6.73851
_cell_length_b 6.73851
_cell_length_c 6.73851
_cell_angle_alpha 110.50655
_cell_angle_beta 107.41984
_cell_angle_gamma 110.50655
_cell_volume 235.31723
_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 0.25000 0.50000 0.75000 1.00000
Pd1 Pd 0.14329 0.70877 0.07005 1.00000
Pd2 Pd 0.92995 0.07324 0.63872 1.00000
Pd3 Pd 0.74375 0.27006 0.34678 1.00000
Pd4 Pd 0.65322 0.39697 0.92328 1.00000
Pd5 Pd 0.52631 0.60303 0.25625 1.00000
Pd6 Pd 0.56548 0.92676 0.85671 1.00000
Pd7 Pd 0.36128 0.29123 0.43452 1.00000
Pd8 Pd 0.07672 0.72994 0.47369 1.00000
Pt1 Pt 0.03328 0.31368 0.12060 1.00000
Pt2 Pt 0.87940 0.91268 0.19308 1.00000
Pt3 Pt 0.80692 0.68632 0.71960 1.00000
Pt4 Pt 0.50000 0.00000 0.50000 1.00000
Pt5 Pt 0.28040 0.08732 0.96672 1.00000
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