Sc5Pb4
Alexandria ALEXAlex-ID: agm007803443 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_11_spg62
Sc6Pb5 Sc5Pb3
2025-02-03 04:38:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007803443).
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 agm007803443
data_agm007803443
_cell_length_a 7.77692
_cell_length_b 7.84405
_cell_length_c 14.79035
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 902.24821
_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 0.96176 0.82174 0.59681 1.00000
Sc2 Sc 0.62859 0.15406 0.87605 1.00000
Sc3 Sc 0.87141 0.65406 0.37605 1.00000
Sc4 Sc 0.53824 0.32174 0.09681 1.00000
Sc5 Sc 0.12859 0.34594 0.87605 1.00000
Sc6 Sc 0.87141 0.65406 0.12395 1.00000
Sc7 Sc 0.79960 0.49229 0.75000 1.00000
Sc8 Sc 0.29960 0.00771 0.75000 1.00000
Sc9 Sc 0.53824 0.32174 0.40319 1.00000
Sc10 Sc 0.70040 0.99229 0.25000 1.00000
Sc11 Sc 0.37141 0.84594 0.37605 1.00000
Sc12 Sc 0.20040 0.50771 0.25000 1.00000
Sc13 Sc 0.12859 0.34594 0.62395 1.00000
Sc14 Sc 0.96176 0.82174 0.90319 1.00000
Sc15 Sc 0.03824 0.17826 0.09681 1.00000
Sc16 Sc 0.37141 0.84594 0.12395 1.00000
Sc17 Sc 0.46176 0.67826 0.90319 1.00000
Sc18 Sc 0.62859 0.15406 0.62395 1.00000
Sc19 Sc 0.03824 0.17826 0.40319 1.00000
Sc20 Sc 0.46176 0.67826 0.59681 1.00000
Pb1 Pb 0.21590 0.53619 0.45726 1.00000
Pb2 Pb 0.28410 0.03619 0.54274 1.00000
Pb3 Pb 0.34933 0.16151 0.25000 1.00000
Pb4 Pb 0.78410 0.46381 0.54274 1.00000
Pb5 Pb 0.71590 0.96381 0.04274 1.00000
Pb6 Pb 0.15067 0.66151 0.75000 1.00000
Pb7 Pb 0.21590 0.53619 0.04274 1.00000
Pb8 Pb 0.43752 0.37774 0.75000 1.00000
Pb9 Pb 0.78410 0.46381 0.95726 1.00000
Pb10 Pb 0.56248 0.62226 0.25000 1.00000
Pb11 Pb 0.84933 0.33849 0.25000 1.00000
Pb12 Pb 0.06248 0.87774 0.25000 1.00000
Pb13 Pb 0.71590 0.96381 0.45726 1.00000
Pb14 Pb 0.28410 0.03619 0.95726 1.00000
Pb15 Pb 0.65067 0.83849 0.75000 1.00000
Pb16 Pb 0.93752 0.12226 0.75000 1.00000
