Pa3(SnPd)4
Alexandria ALEXAlex-ID: agm009763339 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
SnPd Pa3Sn4Pd3 PaPd3
2024-04-19 20:00:20.889544
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009763339).
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 agm009763339
data_agm009763339
_cell_length_a 15.12195
_cell_length_b 15.12195
_cell_length_c 15.12195
_cell_angle_alpha 167.25918
_cell_angle_beta 161.81426
_cell_angle_gamma 22.26710
_cell_volume 237.97736
_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
Pa1 Pa 0.64369 0.14369 0.50000 1.00000
Pa2 Pa 0.35631 0.85631 0.50000 1.00000
Pa3 Pa 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.19101 0.69101 0.50000 1.00000
Sn2 Sn 0.55100 0.55100 0.00000 1.00000
Sn3 Sn 0.44900 0.44900 0.00000 1.00000
Sn4 Sn 0.80899 0.30899 0.50000 1.00000
Pd1 Pd 0.73238 0.73238 0.00000 1.00000
Pd2 Pd 0.90271 0.40271 0.50000 1.00000
Pd3 Pd 0.09729 0.59729 0.50000 1.00000
Pd4 Pd 0.26762 0.26762 0.00000 1.00000
Get direct link