Sr2Pd12Pb7
Alexandria ALEXAlex-ID: agm005674819 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_37_spg147
PdPb Pd3Pb Sr(Pd2Pb)2
2023-06-21 09:57:22.937842
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674819).
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 agm005674819
data_agm005674819
_cell_length_a 4.75508
_cell_length_b 10.58340
_cell_length_c 10.58348
_cell_angle_alpha 119.99984
_cell_angle_beta 89.99949
_cell_angle_gamma 89.99997
_cell_volume 461.25737
_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
Sr1 Sr 0.19939 0.33333 0.66666 1.00000
Sr2 Sr 0.80061 0.66667 0.33333 1.00000
Pd1 Pd 0.18790 0.62080 0.05916 1.00000
Pd2 Pd 0.18791 0.43836 0.37920 1.00000
Pd3 Pd 0.18791 0.94085 0.56164 1.00000
Pd4 Pd 0.81210 0.37920 0.94084 1.00000
Pd5 Pd 0.81209 0.56164 0.62080 1.00000
Pd6 Pd 0.81209 0.05915 0.43836 1.00000
Pd7 Pd 0.16973 0.13117 0.25764 1.00000
Pd8 Pd 0.16973 0.12647 0.86883 1.00000
Pd9 Pd 0.16973 0.74236 0.87353 1.00000
Pd10 Pd 0.83027 0.86883 0.74236 1.00000
Pd11 Pd 0.83027 0.87353 0.13117 1.00000
Pd12 Pd 0.83027 0.25764 0.12647 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
Pb2 Pb 0.32731 0.89675 0.28930 1.00000
Pb3 Pb 0.32731 0.39254 0.10325 1.00000
Pb4 Pb 0.32731 0.71070 0.60745 1.00000
Pb5 Pb 0.67269 0.10325 0.71070 1.00000
Pb6 Pb 0.67269 0.60746 0.89675 1.00000
Pb7 Pb 0.67268 0.28930 0.39255 1.00000
