HfTl4Sn3Te8
Alexandria ALEXAlex-ID: agm044891785 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
TlSn4Te5 HfTl3(SnTe3)2 Tl2SnTe3
2025-03-07 13:38:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044891785).
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 agm044891785
data_agm044891785
_cell_length_a 9.46878
_cell_length_b 9.46878
_cell_length_c 9.46878
_cell_angle_alpha 55.73006
_cell_angle_beta 55.73006
_cell_angle_gamma 55.73006
_cell_volume 540.84361
_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
Hf1 Hf 0.50000 0.50000 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.00000 0.50000 0.50000 1.00000
Tl3 Tl 0.50000 0.50000 0.00000 1.00000
Tl4 Tl 0.50000 0.00000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Sn2 Sn 0.00000 0.50000 0.00000 1.00000
Sn3 Sn 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.72597 0.25639 0.72597 1.00000
Te2 Te 0.72597 0.72597 0.25639 1.00000
Te3 Te 0.75747 0.75747 0.75747 1.00000
Te4 Te 0.25639 0.72597 0.72597 1.00000
Te5 Te 0.74361 0.27403 0.27403 1.00000
Te6 Te 0.24253 0.24253 0.24253 1.00000
Te7 Te 0.27403 0.27403 0.74361 1.00000
Te8 Te 0.27403 0.74361 0.27403 1.00000
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