Cd2Sn5Pb12
Alexandria ALEXAlex-ID: agm005674787 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_43_spg12
Cd Sn Pb
2023-06-23 04:43:52.771610
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674787).
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 agm005674787
data_agm005674787
_cell_length_a 6.04972
_cell_length_b 10.31177
_cell_length_c 10.31176
_cell_angle_alpha 67.43606
_cell_angle_beta 79.28602
_cell_angle_gamma 79.28589
_cell_volume 579.01215
_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
Cd1 Cd 1.00000 0.26363 0.73637 1.00000
Cd2 Cd 0.00000 0.73637 0.26363 1.00000
Sn1 Sn 0.42184 0.20373 0.20373 1.00000
Sn2 Sn 0.83604 0.30237 0.30237 1.00000
Sn3 Sn 0.50000 0.00000 0.00000 1.00000
Sn4 Sn 0.16396 0.69763 0.69763 1.00000
Sn5 Sn 0.57816 0.79627 0.79627 1.00000
Pb1 Pb 0.04137 0.89689 0.89689 1.00000
Pb2 Pb 0.19739 0.53953 0.07575 1.00000
Pb3 Pb 0.19739 0.07575 0.53953 1.00000
Pb4 Pb 0.62715 0.64991 0.15010 1.00000
Pb5 Pb 0.62715 0.15010 0.64991 1.00000
Pb6 Pb 0.31394 0.43478 0.43478 1.00000
Pb7 Pb 0.68606 0.56522 0.56522 1.00000
Pb8 Pb 0.37285 0.35009 0.84990 1.00000
Pb9 Pb 0.37285 0.84990 0.35009 1.00000
Pb10 Pb 0.80261 0.46047 0.92425 1.00000
Pb11 Pb 0.80261 0.92425 0.46047 1.00000
Pb12 Pb 0.95863 0.10311 0.10311 1.00000
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