Ba2SnPb6
Alexandria ALEXAlex-ID: agm005665454 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2_spg225
BaPb3 BaSn2 Pb
2023-07-09 15:00:14.575815
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665454).
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
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# CIF generated by HEAS from Alexandria entry agm005665454
data_agm005665454
_cell_length_a 7.59705
_cell_length_b 7.59707
_cell_length_c 7.90648
_cell_angle_alpha 61.17847
_cell_angle_beta 61.17834
_cell_angle_gamma 59.90928
_cell_volume 328.06521
_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
Ba1 Ba 0.24371 0.24371 0.26819 1.00000
Ba2 Ba 0.75629 0.75629 0.73181 1.00000
Sn1 Sn 0.50000 0.50000 0.50000 1.00000
Pb1 Pb 0.21610 0.21610 0.79514 1.00000
Pb2 Pb 0.22796 0.78346 0.20451 1.00000
Pb3 Pb 0.77204 0.21654 0.79549 1.00000
Pb4 Pb 0.78346 0.22796 0.20451 1.00000
Pb5 Pb 0.21654 0.77204 0.79549 1.00000
Pb6 Pb 0.78390 0.78390 0.20486 1.00000
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