LiTlBi
Alexandria ALEXAlex-ID: agm005602260 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10418_spg63
Li2TlBi Tl2Bi LiBi
2023-06-17 19:41:33.561410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602260).
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 agm005602260
data_agm005602260
_cell_length_a 3.46414
_cell_length_b 4.62895
_cell_length_c 10.21427
_cell_angle_alpha 89.99420
_cell_angle_beta 78.68731
_cell_angle_gamma 89.99903
_cell_volume 160.60709
_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 0.63761 0.41511 0.01898 1.00000
Li2 Li 0.53898 0.91490 0.18020 1.00000
Tl1 Tl 0.78121 0.41512 0.70978 1.00000
Tl2 Tl 0.39130 0.91519 0.48951 1.00000
Bi1 Bi 0.98149 0.41508 0.28172 1.00000
Bi2 Bi 0.19409 0.91516 0.91761 1.00000
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