Sn3Pb7
Alexandria ALEXAlex-ID: agm005535862 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_81_spg12
Pb Sn
2023-05-28 04:14:47.361477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535862).
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 agm005535862
data_agm005535862
_cell_length_a 5.81789
_cell_length_b 6.93068
_cell_length_c 8.18568
_cell_angle_alpha 98.52302
_cell_angle_beta 110.81614
_cell_angle_gamma 89.99997
_cell_volume 304.61543
_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
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.19625 0.79474 0.39250 1.00000
Sn3 Sn 0.80375 0.20526 0.60750 1.00000
Pb1 Pb 0.00000 0.50000 0.00000 1.00000
Pb2 Pb 0.20000 0.28562 0.39999 1.00000
Pb3 Pb 0.80000 0.71438 0.60001 1.00000
Pb4 Pb 0.39734 0.09196 0.79468 1.00000
Pb5 Pb 0.60266 0.90804 0.20532 1.00000
Pb6 Pb 0.39800 0.59847 0.79601 1.00000
Pb7 Pb 0.60200 0.40153 0.20399 1.00000
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