LiSnBr
Alexandria ALEXAlex-ID: agm002091925 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3951_spg8
Sn LiBr
2021-11-10 21:12:53.545863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002091925).
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 agm002091925
data_agm002091925
_cell_length_a 4.53494
_cell_length_b 4.53509
_cell_length_c 11.38850
_cell_angle_alpha 89.12988
_cell_angle_beta 88.61526
_cell_angle_gamma 60.02472
_cell_volume 202.83042
_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 0.51560 0.28290 0.29896 1.00000
Li2 Li 0.17164 0.94658 0.49549 1.00000
Sn1 Sn 0.14221 0.95562 0.92343 1.00000
Sn2 Sn 0.81349 0.62307 0.84057 1.00000
Br1 Br 0.50300 0.27997 0.52589 1.00000
Br2 Br 0.18411 0.94956 0.26526 1.00000
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