LiTl6In
Alexandria ALEXAlex-ID: agm003773449 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_340_spg12
Tl LiIn
2022-04-20 03:30:17.420688
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003773449).
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 agm003773449
data_agm003773449
_cell_length_a 5.86919
_cell_length_b 5.86919
_cell_length_c 7.55041
_cell_angle_alpha 76.18633
_cell_angle_beta 76.18633
_cell_angle_gamma 86.75062
_cell_volume 245.26463
_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 0.00000 0.00000 1.00000
Tl1 Tl 0.10023 0.68629 0.30536 1.00000
Tl2 Tl 0.68629 0.10023 0.30536 1.00000
Tl3 Tl 0.31371 0.89977 0.69464 1.00000
Tl4 Tl 0.89977 0.31371 0.69464 1.00000
Tl5 Tl 0.31718 0.31718 0.00326 1.00000
Tl6 Tl 0.68282 0.68282 0.99674 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
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