Cs2Sn7Pb12
Alexandria ALEXAlex-ID: agm005672767 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_15_spg174
Cs4Pb9 Cs4Sn23 Pb
2023-06-21 09:59:25.814034
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672767).
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 agm005672767
data_agm005672767
_cell_length_a 3.54900
_cell_length_b 14.94664
_cell_length_c 14.94667
_cell_angle_alpha 120.00011
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 686.63277
_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
Cs1 Cs 0.23334 0.33333 0.66667 1.00000
Cs2 Cs 0.76666 0.66667 0.33333 1.00000
Sn1 Sn 0.50000 0.00000 0.00000 1.00000
Sn2 Sn 0.26600 0.87372 0.28410 1.00000
Sn3 Sn 0.26600 0.41038 0.12628 1.00000
Sn4 Sn 0.26600 0.71590 0.58962 1.00000
Sn5 Sn 0.73400 0.12628 0.71590 1.00000
Sn6 Sn 0.73400 0.58962 0.87372 1.00000
Sn7 Sn 0.73400 0.28410 0.41038 1.00000
Pb1 Pb 0.26052 0.61617 0.06968 1.00000
Pb2 Pb 0.26052 0.45350 0.38383 1.00000
Pb3 Pb 0.26052 0.93032 0.54650 1.00000
Pb4 Pb 0.73948 0.38383 0.93032 1.00000
Pb5 Pb 0.73948 0.54650 0.61617 1.00000
Pb6 Pb 0.73948 0.06968 0.45350 1.00000
Pb7 Pb 0.23393 0.07205 0.24330 1.00000
Pb8 Pb 0.23393 0.17125 0.92795 1.00000
Pb9 Pb 0.23393 0.75670 0.82875 1.00000
Pb10 Pb 0.76607 0.92795 0.75670 1.00000
Pb11 Pb 0.76607 0.82875 0.07205 1.00000
Pb12 Pb 0.76607 0.24330 0.17125 1.00000
