LiSnB
Alexandria ALEXAlex-ID: agm003089613 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1052_spg8
LiB3 LiSn Sn
2015-06-28 14:44:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003089613).
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 agm003089613
data_agm003089613
_cell_length_a 5.90080
_cell_length_b 3.57740
_cell_length_c 5.42102
_cell_angle_alpha 109.25244
_cell_angle_beta 106.33277
_cell_angle_gamma 72.68145
_cell_volume 100.98776
_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
B1 B 0.42686 0.49621 0.27543 1.00000
B2 B 0.51550 0.61423 0.59997 1.00000
Sn1 Sn 0.77750 0.94035 0.51058 1.00000
Sn2 Sn 0.34426 0.88449 0.97085 1.00000
Li1 Li 0.89881 0.61970 0.99316 1.00000
Li2 Li 0.22086 0.19665 0.47469 1.00000
Get direct link