ZnSn5Pb3
Alexandria ALEXAlex-ID: agm072316352 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1069_spg12
Zn Sn Pb
2024-09-25 01:22:25.250118
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072316352).
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 agm072316352
data_agm072316352
_cell_length_a 7.58693
_cell_length_b 7.58693
_cell_length_c 6.36219
_cell_angle_alpha 76.81996
_cell_angle_beta 76.81996
_cell_angle_gamma 125.23762
_cell_volume 259.76579
_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
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Sn2 Sn 0.57719 0.85918 0.99303 1.00000
Sn3 Sn 0.42281 0.14082 0.00697 1.00000
Sn4 Sn 0.85918 0.57719 0.99303 1.00000
Sn5 Sn 0.14082 0.42281 0.00697 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
Pb2 Pb 0.50000 0.00000 0.50000 1.00000
Pb3 Pb 0.50000 0.50000 0.50000 1.00000
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