Li12Ga2Sn5
Alexandria ALEXAlex-ID: agm003369735 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_78_spg12
LiGa Li2Sn
2022-02-07 01:58:45.376490
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003369735).
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 agm003369735
data_agm003369735
_cell_length_a 5.53571
_cell_length_b 7.86826
_cell_length_c 9.88707
_cell_angle_alpha 99.44938
_cell_angle_beta 90.00000
_cell_angle_gamma 110.59589
_cell_volume 396.87179
_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 0.96811 0.93621 0.21726 1.00000
Li2 Li 0.06362 0.61663 0.85306 1.00000
Li3 Li 0.55301 0.61663 0.85306 1.00000
Li4 Li 0.11915 0.71358 0.36093 1.00000
Li5 Li 0.59443 0.71358 0.36093 1.00000
Li6 Li 0.47497 0.94995 0.65260 1.00000
Li7 Li 0.52503 0.05005 0.34740 1.00000
Li8 Li 0.88085 0.28642 0.63907 1.00000
Li9 Li 0.40557 0.28642 0.63907 1.00000
Li10 Li 0.93638 0.38337 0.14694 1.00000
Li11 Li 0.44699 0.38337 0.14694 1.00000
Li12 Li 0.03189 0.06379 0.78274 1.00000
Ga1 Ga 0.76870 0.00000 0.00000 1.00000
Ga2 Ga 0.23130 1.00000 1.00000 1.00000
Sn1 Sn 0.28616 0.57232 0.56876 1.00000
Sn2 Sn 0.37094 0.74187 0.11100 1.00000
Sn3 Sn 0.00000 0.00000 0.50000 1.00000
Sn4 Sn 0.62906 0.25813 0.88900 1.00000
Sn5 Sn 0.71384 0.42768 0.43124 1.00000
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