Ta2Tl4S11
Alexandria ALEXAlex-ID: agm005272806 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C11_14_spg2
Ta2Tl4S11
2022-12-13 05:20:17.450787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005272806).
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 agm005272806
data_agm005272806
_cell_length_a 8.16482
_cell_length_b 9.14177
_cell_length_c 13.45205
_cell_angle_alpha 107.76388
_cell_angle_beta 89.28064
_cell_angle_gamma 94.84498
_cell_volume 952.69201
_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
Ta1 Ta 0.33303 0.88850 0.19145 1.00000
Ta2 Ta 0.66697 0.11150 0.80855 1.00000
Ta3 Ta 0.12590 0.64062 0.30619 1.00000
Ta4 Ta 0.87410 0.35938 0.69381 1.00000
Tl1 Tl 0.23267 0.57741 0.58600 1.00000
Tl2 Tl 0.76733 0.42259 0.41400 1.00000
Tl3 Tl 0.49835 0.73607 0.89010 1.00000
Tl4 Tl 0.50165 0.26393 0.10990 1.00000
Tl5 Tl 0.21367 0.03386 0.57498 1.00000
Tl6 Tl 0.78633 0.96614 0.42502 1.00000
Tl7 Tl 0.04902 0.24030 0.97693 1.00000
Tl8 Tl 0.95098 0.75970 0.02307 1.00000
S1 S 0.00437 0.28851 0.53416 1.00000
S2 S 0.99563 0.71149 0.46584 1.00000
S3 S 0.38638 0.81106 0.37178 1.00000
S4 S 0.61362 0.18894 0.62822 1.00000
S5 S 0.04874 0.36195 0.24836 1.00000
S6 S 0.95126 0.63805 0.75164 1.00000
S7 S 0.09835 0.50703 0.81212 1.00000
S8 S 0.90165 0.49297 0.18788 1.00000
S9 S 0.39118 0.57634 0.35402 1.00000
S10 S 0.60882 0.42366 0.64598 1.00000
S11 S 0.36233 0.13150 0.33275 1.00000
S12 S 0.63767 0.86850 0.66725 1.00000
S13 S 0.72791 0.04269 0.95456 1.00000
S14 S 0.27209 0.95731 0.04544 1.00000
S15 S 0.51616 0.68485 0.11957 1.00000
S16 S 0.48384 0.31515 0.88043 1.00000
S17 S 0.73035 0.39670 0.88583 1.00000
S18 S 0.26965 0.60330 0.11417 1.00000
S19 S 0.95433 0.13415 0.74662 1.00000
S20 S 0.04567 0.86585 0.25338 1.00000
S21 S 0.58098 0.06976 0.25445 1.00000
S22 S 0.41902 0.93024 0.74555 1.00000
