Li4La3Tl4
Alexandria ALEXAlex-ID: agm005696786 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_1_spg71
Li2LaTl Li8Tl3 LaTl
2023-06-29 20:53:59.382835
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696786).
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 agm005696786
data_agm005696786
_cell_length_a 4.91466
_cell_length_b 7.67407
_cell_length_c 8.86438
_cell_angle_alpha 115.64919
_cell_angle_beta 106.09400
_cell_angle_gamma 90.00000
_cell_volume 286.77641
_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 0.32456 0.13987 0.64912 1.00000
Li2 Li 0.67544 0.49075 0.35088 1.00000
Li3 Li 0.67544 0.86013 0.35088 1.00000
Li4 Li 0.32456 0.50925 0.64912 1.00000
La1 La 0.12229 0.12229 0.24459 1.00000
La2 La 0.87771 0.87771 0.75541 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
Tl1 Tl 0.22127 0.72127 0.44254 1.00000
Tl2 Tl 0.77873 0.27873 0.55746 1.00000
Tl3 Tl 0.50000 0.79579 1.00000 1.00000
Tl4 Tl 0.50000 0.20421 0.00000 1.00000
Get direct link