Sc2Cd3Pb
Alexandria ALEXAlex-ID: agm005807538 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_860_spg12
Sc6Pb5 Sc2Cd5Pb ScCd3
2023-08-24 18:08:09.641757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807538).
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 agm005807538
data_agm005807538
_cell_length_a 4.44490
_cell_length_b 7.31247
_cell_length_c 10.10716
_cell_angle_alpha 116.11904
_cell_angle_beta 90.00005
_cell_angle_gamma 107.69356
_cell_volume 277.55549
_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 0.52615 0.05229 0.85314 1.00000
Sc2 Sc 0.47385 0.94771 0.14686 1.00000
Sc3 Sc 0.79125 0.58249 0.14114 1.00000
Sc4 Sc 0.20875 0.41751 0.85886 1.00000
Cd1 Cd 0.28628 0.57257 0.61522 1.00000
Cd2 Cd 0.95861 0.91721 0.62061 1.00000
Cd3 Cd 0.62035 0.24070 0.61750 1.00000
Cd4 Cd 0.37965 0.75930 0.38250 1.00000
Cd5 Cd 0.04139 0.08279 0.37939 1.00000
Cd6 Cd 0.71372 0.42743 0.38478 1.00000
Pb1 Pb 0.87148 0.74297 0.89729 1.00000
Pb2 Pb 0.12852 0.25703 0.10271 1.00000
Get direct link