SnB(Pd3Pb)2
Alexandria ALEXAlex-ID: agm004928906 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_468_spg2
SnPd3 BPd2 B PdPb
2022-07-21 11:01:56.558429
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004928906).
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 agm004928906
data_agm004928906
_cell_length_a 5.82354
_cell_length_b 7.01552
_cell_length_c 7.37034
_cell_angle_alpha 46.05919
_cell_angle_beta 65.99205
_cell_angle_gamma 87.20480
_cell_volume 185.15641
_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 1.00000 1.00000 0.00000 1.00000
B1 B 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.27502 0.37487 0.40004 1.00000
Pd2 Pd 0.83451 0.78301 0.84644 1.00000
Pd3 Pd 0.33659 0.81611 0.81622 1.00000
Pd4 Pd 0.66340 0.18388 0.18378 1.00000
Pd5 Pd 0.16548 0.21699 0.15356 1.00000
Pd6 Pd 0.72498 0.62513 0.59996 1.00000
Pb1 Pb 0.74744 0.31119 0.47704 1.00000
Pb2 Pb 0.25256 0.68881 0.52295 1.00000
Get direct link