Sc2In2Pb3
Alexandria ALEXAlex-ID: agm010109442 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_95_spg12
Sc3In7 Pb ScPb
2024-03-07 18:04:00.059188
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010109442).
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 agm010109442
data_agm010109442
_cell_length_a 5.72254
_cell_length_b 5.72254
_cell_length_c 8.19647
_cell_angle_alpha 73.73855
_cell_angle_beta 73.73855
_cell_angle_gamma 45.43890
_cell_volume 182.21977
_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 0.70363 0.70363 0.33753 1.00000
Sc2 Sc 0.29637 0.29637 0.66247 1.00000
In1 In 0.14136 0.14136 0.06373 1.00000
In2 In 0.85864 0.85864 0.93627 1.00000
Pb1 Pb 0.42221 0.42221 0.23874 1.00000
Pb2 Pb 0.00000 0.00000 0.50000 1.00000
Pb3 Pb 0.57779 0.57779 0.76126 1.00000
Get direct link