LiThTl3
Alexandria ALEXAlex-ID: agm003723643 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5084_spg74
Li4Tl3 LiThTl2 ThTl3
2022-04-30 14:11:25.310214
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003723643).
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 agm003723643
data_agm003723643
_cell_length_a 4.80655
_cell_length_b 4.64085
_cell_length_c 11.96412
_cell_angle_alpha 101.18332
_cell_angle_beta 101.54768
_cell_angle_gamma 90.00000
_cell_volume 256.30101
_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 0.39665 0.14688 0.29377 1.00000
Li2 Li 0.60335 0.85312 0.70623 1.00000
Th1 Th 0.17325 0.42275 0.84551 1.00000
Th2 Th 0.82675 0.57725 0.15449 1.00000
Tl1 Tl 0.71194 0.96179 0.92357 1.00000
Tl2 Tl 0.28806 0.03821 0.07643 1.00000
Tl3 Tl 0.44992 0.70030 0.40060 1.00000
Tl4 Tl 0.55008 0.29970 0.59940 1.00000
Tl5 Tl 0.05528 0.80495 0.60990 1.00000
Tl6 Tl 0.94472 0.19505 0.39010 1.00000
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