La4TlBi
Alexandria ALEXAlex-ID: agm003755370 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
La3Tl La5Tl3 La2Bi
2022-04-18 15:12:31.481772
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003755370).
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 agm003755370
data_agm003755370
_cell_length_a 6.49125
_cell_length_b 8.94893
_cell_length_c 8.71027
_cell_angle_alpha 113.03892
_cell_angle_beta 101.76839
_cell_angle_gamma 109.16765
_cell_volume 406.36798
_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
La1 La 0.06614 0.22851 0.82535 1.00000
La2 La 0.76627 0.70328 0.61904 1.00000
La3 La 0.25921 0.59685 0.82535 1.00000
La4 La 0.35277 0.91576 0.61904 1.00000
La5 La 0.64723 0.08424 0.38096 1.00000
La6 La 0.74079 0.40315 0.17465 1.00000
La7 La 0.23373 0.29672 0.38096 1.00000
La8 La 0.93386 0.77149 0.17465 1.00000
Tl1 Tl 0.25155 0.00155 0.00309 1.00000
Tl2 Tl 0.74845 0.99845 0.99691 1.00000
Bi1 Bi 0.36743 0.61743 0.23485 1.00000
Bi2 Bi 0.63257 0.38257 0.76515 1.00000
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