Li7Sn12Bi
Alexandria ALEXAlex-ID: agm005776597 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_28_spg148
Li2Bi LiSn Sn
2023-07-16 00:58:40.602436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776597).
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 agm005776597
data_agm005776597
_cell_length_a 5.80518
_cell_length_b 9.84901
_cell_length_c 9.84902
_cell_angle_alpha 116.23781
_cell_angle_beta 101.33075
_cell_angle_gamma 101.33076
_cell_volume 468.85176
_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
Li1 Li 0.10727 0.76469 0.06857 1.00000
Li2 Li 0.96130 0.06857 0.30388 1.00000
Li3 Li 0.65742 0.69612 0.76469 1.00000
Li4 Li 0.50000 0.00000 0.00000 1.00000
Li5 Li 0.34258 0.30388 0.23531 1.00000
Li6 Li 0.03870 0.93143 0.69612 1.00000
Li7 Li 0.89273 0.23531 0.93143 1.00000
Sn1 Sn 0.23221 0.54880 0.17166 1.00000
Sn2 Sn 0.93946 0.17166 0.62287 1.00000
Sn3 Sn 0.59268 0.73539 0.07415 1.00000
Sn4 Sn 0.48147 0.07415 0.33876 1.00000
Sn5 Sn 0.31659 0.37713 0.54880 1.00000
Sn6 Sn 0.14271 0.66124 0.73539 1.00000
Sn7 Sn 0.85729 0.33876 0.26461 1.00000
Sn8 Sn 0.68341 0.62287 0.45120 1.00000
Sn9 Sn 0.51853 0.92585 0.66124 1.00000
Sn10 Sn 0.40732 0.26461 0.92585 1.00000
Sn11 Sn 0.06054 0.82834 0.37713 1.00000
Sn12 Sn 0.76779 0.45120 0.82834 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
