Tl7Sn3
Alexandria ALEXAlex-ID: agm005535779 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_84_spg1
Tl17Sn12 Tl
2023-05-28 21:08:40.046562
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535779).
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 agm005535779
data_agm005535779
_cell_length_a 6.78727
_cell_length_b 9.49862
_cell_length_c 11.83804
_cell_angle_alpha 116.70157
_cell_angle_beta 82.17877
_cell_angle_gamma 117.03919
_cell_volume 605.04890
_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 0.15248 0.35570 0.69167 1.00000
Tl2 Tl 0.29241 0.56378 0.31501 1.00000
Tl3 Tl 0.95485 0.75977 0.92572 1.00000
Tl4 Tl 0.88599 0.15456 0.11764 1.00000
Tl5 Tl 0.97057 0.02991 0.79592 1.00000
Tl6 Tl 0.40356 0.17970 0.10827 1.00000
Tl7 Tl 0.47539 0.77280 0.89129 1.00000
Tl8 Tl 0.27967 0.83905 0.18545 1.00000
Tl9 Tl 0.18047 0.95388 0.50200 1.00000
Tl10 Tl 0.41513 0.45238 0.99005 1.00000
Tl11 Tl 0.09932 0.64596 0.61235 1.00000
Tl12 Tl 0.67063 0.24987 0.40143 1.00000
Tl13 Tl 0.90563 0.42034 0.98100 1.00000
Tl14 Tl 0.59816 0.62906 0.56977 1.00000
Sn1 Sn 0.80799 0.56922 0.28569 1.00000
Sn2 Sn 0.69557 0.98605 0.52374 1.00000
Sn3 Sn 0.76794 0.84031 0.22210 1.00000
Sn4 Sn 0.63866 0.34271 0.70671 1.00000
Sn5 Sn 0.14884 0.20562 0.37911 1.00000
Sn6 Sn 0.47274 0.04931 0.79510 1.00000
