Tl8Sn4Br
Alexandria ALEXAlex-ID: agm097728875 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_540_spg12
Tl17Sn12 Tl TlBr
2025-06-02 14:19:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097728875).
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 agm097728875
data_agm097728875
_cell_length_a 6.04691
_cell_length_b 8.10112
_cell_length_c 9.50274
_cell_angle_alpha 109.71196
_cell_angle_beta 92.59778
_cell_angle_gamma 74.40420
_cell_volume 421.56642
_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 0.42785 0.19564 0.48958 1.00000
Tl2 Tl 0.26251 0.12379 0.84548 1.00000
Tl3 Tl 0.20347 0.54281 0.33281 1.00000
Tl4 Tl 0.19616 0.64216 0.70972 1.00000
Tl5 Tl 0.77701 0.37485 0.12858 1.00000
Tl6 Tl 0.74215 0.55117 0.84262 1.00000
Tl7 Tl 0.94454 0.92630 0.16115 1.00000
Tl8 Tl 0.59414 0.77363 0.52049 1.00000
Sn1 Sn 0.80247 0.01194 0.83028 1.00000
Sn2 Sn 0.00295 0.98652 0.52590 1.00000
Sn3 Sn 0.26698 0.51390 0.99771 1.00000
Sn4 Sn 0.86521 0.35695 0.47681 1.00000
Br1 Br 0.41455 0.00034 0.13886 1.00000
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