Li4Tl3Ag2
Alexandria ALEXAlex-ID: agm005607795 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
Li3Ag8 Li3Tl2Ag LiTl
2023-06-27 09:32:51.545347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607795).
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 agm005607795
data_agm005607795
_cell_length_a 4.65765
_cell_length_b 4.89265
_cell_length_c 8.94791
_cell_angle_alpha 88.16818
_cell_angle_beta 92.64234
_cell_angle_gamma 59.60060
_cell_volume 175.32502
_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 0.66509 0.66861 0.90070 1.00000
Li2 Li 0.00596 0.99505 0.32019 1.00000
Li3 Li 0.99404 0.00495 0.67981 1.00000
Li4 Li 0.33491 0.33139 0.09930 1.00000
Tl1 Tl 0.33527 0.33334 0.41356 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Tl3 Tl 0.66473 0.66666 0.58644 1.00000
Ag1 Ag 0.32528 0.34142 0.78811 1.00000
Ag2 Ag 0.67472 0.65858 0.21189 1.00000
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