Sc3PdPb2
Alexandria ALEXAlex-ID: agm005751081 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2056_spg62
Sc6Pb5 Sc5Pb3 Sc2Pd2Pb
2023-08-24 20:23:47.859812
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751081).
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 agm005751081
data_agm005751081
_cell_length_a 4.47840
_cell_length_b 10.61254
_cell_length_c 11.76601
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 559.20599
_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
Sc1 Sc 0.25000 0.36014 0.05975 1.00000
Sc2 Sc 0.75000 0.63986 0.94025 1.00000
Sc3 Sc 0.75000 0.86014 0.44025 1.00000
Sc4 Sc 0.25000 0.13986 0.55975 1.00000
Sc5 Sc 0.25000 0.70669 0.24877 1.00000
Sc6 Sc 0.75000 0.29331 0.75123 1.00000
Sc7 Sc 0.75000 0.20669 0.25123 1.00000
Sc8 Sc 0.25000 0.79331 0.74877 1.00000
Sc9 Sc 0.25000 0.43484 0.35571 1.00000
Sc10 Sc 0.75000 0.56516 0.64429 1.00000
Sc11 Sc 0.75000 0.93484 0.14429 1.00000
Sc12 Sc 0.25000 0.06516 0.85571 1.00000
Pd1 Pd 0.25000 0.10435 0.11160 1.00000
Pd2 Pd 0.75000 0.89565 0.88840 1.00000
Pd3 Pd 0.75000 0.60435 0.38840 1.00000
Pd4 Pd 0.25000 0.39565 0.61160 1.00000
Pb1 Pb 0.25000 0.68483 0.51401 1.00000
Pb2 Pb 0.75000 0.31517 0.48599 1.00000
Pb3 Pb 0.75000 0.18483 0.98599 1.00000
Pb4 Pb 0.25000 0.81517 0.01401 1.00000
Pb5 Pb 0.25000 0.00071 0.32915 1.00000
Pb6 Pb 0.75000 0.99929 0.67085 1.00000
Pb7 Pb 0.75000 0.50071 0.17085 1.00000
Pb8 Pb 0.25000 0.49929 0.82915 1.00000
