Tl6SnBi2
Alexandria ALEXAlex-ID: agm005673515 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1029_spg12
Tl5Bi Sn Tl2Bi
2023-07-12 22:45:48.394876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673515).
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
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# CIF generated by HEAS from Alexandria entry agm005673515
data_agm005673515
_cell_length_a 4.74846
_cell_length_b 8.05448
_cell_length_c 8.13870
_cell_angle_alpha 106.70279
_cell_angle_beta 106.96102
_cell_angle_gamma 90.00000
_cell_volume 283.97728
_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
Tl1 Tl 0.38824 0.83760 0.77649 1.00000
Tl2 Tl 0.61176 0.16240 0.22351 1.00000
Tl3 Tl 0.71307 0.82866 0.42614 1.00000
Tl4 Tl 0.16086 0.49960 0.32172 1.00000
Tl5 Tl 0.28693 0.17134 0.57386 1.00000
Tl6 Tl 0.83914 0.50040 0.67828 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.95341 0.18011 0.90683 1.00000
Bi2 Bi 0.04659 0.81989 0.09317 1.00000
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