LiTl3Bi2
Alexandria ALEXAlex-ID: agm005882839 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_570_spg65
Li2TlBi Tl2Bi LiBi
2023-08-22 12:18:36.374085
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882839).
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 agm005882839
data_agm005882839
_cell_length_a 3.52784
_cell_length_b 5.66591
_cell_length_c 9.27009
_cell_angle_alpha 107.79436
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 176.42999
_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 0.00000 0.68677 0.37354 1.00000
Tl2 Tl 0.00000 0.31323 0.62646 1.00000
Tl3 Tl 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.50000 0.86432 0.72865 1.00000
Bi2 Bi 0.50000 0.13568 0.27135 1.00000
