LiTlAg3
Alexandria ALEXAlex-ID: agm005757346 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7299_spg12
LiAg3 Tl
2023-07-04 13:15:17.876559
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757346).
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 agm005757346
data_agm005757346
_cell_length_a 5.68217
_cell_length_b 5.51600
_cell_length_c 5.51559
_cell_angle_alpha 118.58341
_cell_angle_beta 103.70420
_cell_angle_gamma 104.22047
_cell_volume 133.78925
_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 0.50000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.50000 0.00000 1.00000
Ag2 Ag 0.00000 0.50000 0.50000 1.00000
Ag3 Ag 0.00000 0.00000 0.50000 1.00000
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