Li6Tl2Ag
Alexandria ALEXAlex-ID: agm003486355 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1_spg189
Li5Tl2 LiAg
2022-02-28 10:59:38.732627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003486355).
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 agm003486355
data_agm003486355
_cell_length_a 3.27726
_cell_length_b 7.85897
_cell_length_c 7.85989
_cell_angle_alpha 119.99615
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 175.32383
_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 0.50000 0.62206 1.00000 1.00000
Li2 Li 0.50000 0.37810 0.37814 1.00000
Li3 Li 0.50000 0.99996 0.62186 1.00000
Li4 Li 0.00000 0.27590 0.00000 1.00000
Li5 Li 0.00000 0.72406 0.72399 1.00000
Li6 Li 0.00000 0.00007 0.27601 1.00000
Tl1 Tl 0.00000 0.33336 0.66675 1.00000
Tl2 Tl 0.00000 0.66661 0.33325 1.00000
Ag1 Ag 0.50000 0.99993 0.00000 1.00000
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