Li6TlSn4
Alexandria ALEXAlex-ID: agm003661652 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Li2Sn Tl LiSn
2022-04-08 11:50:06.423558
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661652).
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
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# CIF generated by HEAS from Alexandria entry agm003661652
data_agm003661652
_cell_length_a 7.37575
_cell_length_b 7.37575
_cell_length_c 7.37575
_cell_angle_alpha 84.23101
_cell_angle_beta 123.38478
_cell_angle_gamma 123.38478
_cell_volume 267.72800
_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 0.00000 0.90219 0.44800 1.00000
Li2 Li 0.00000 0.44800 0.90219 1.00000
Li3 Li 0.54581 0.09781 0.09781 1.00000
Li4 Li 0.50000 0.00000 0.50000 1.00000
Li5 Li 0.45419 0.55200 0.55200 1.00000
Li6 Li 0.50000 0.50000 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 1.00000 0.24115 0.57499 1.00000
Sn2 Sn 0.66616 0.42501 0.42501 1.00000
Sn3 Sn 1.00000 0.57499 0.24115 1.00000
Sn4 Sn 0.33384 0.75885 0.75885 1.00000
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