In4Sn12Pb
Alexandria ALEXAlex-ID: agm006020366 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_89_spg87
In Sn Pb
2023-08-08 02:32:41.741807
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006020366).
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 agm006020366
data_agm006020366
_cell_length_a 7.67422
_cell_length_b 9.58833
_cell_length_c 9.08133
_cell_angle_alpha 122.99798
_cell_angle_beta 109.60272
_cell_angle_gamma 95.46722
_cell_volume 494.19626
_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
In1 In 0.00000 0.50000 0.00000 1.00000
In2 In 0.00000 0.00000 0.50000 1.00000
In3 In 0.50000 0.00000 0.00000 1.00000
In4 In 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.71546 0.24310 0.49647 1.00000
Sn2 Sn 0.75155 0.35405 0.12318 1.00000
Sn3 Sn 0.56314 0.67386 0.26060 1.00000
Sn4 Sn 0.06939 0.32398 0.42910 1.00000
Sn5 Sn 0.43686 0.32614 0.73940 1.00000
Sn6 Sn 0.24845 0.64595 0.87682 1.00000
Sn7 Sn 0.72632 0.72876 0.00926 1.00000
Sn8 Sn 0.27368 0.27124 0.99074 1.00000
Sn9 Sn 0.93061 0.67602 0.57090 1.00000
Sn10 Sn 0.30080 0.94984 0.30737 1.00000
Sn11 Sn 0.69920 0.05016 0.69263 1.00000
Sn12 Sn 0.28454 0.75690 0.50353 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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