SrTlS14
Alexandria ALEXAlex-ID: agm005756433 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_123_spg15
TlS11 SrS20 SrS
2023-07-21 06:14:35.870880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756433).
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 agm005756433
data_agm005756433
_cell_length_a 16.32568
_cell_length_b 9.63488
_cell_length_c 9.63488
_cell_angle_alpha 55.83215
_cell_angle_beta 62.11641
_cell_angle_gamma 62.11639
_cell_volume 1063.91416
_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
Sr1 Sr 0.50000 0.00000 0.50000 1.00000
Sr2 Sr 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.25000 0.23331 0.26669 1.00000
Tl2 Tl 0.75000 0.76669 0.73331 1.00000
S1 S 0.67421 0.34593 0.23889 1.00000
S2 S 0.32579 0.65407 0.76111 1.00000
S3 S 0.17421 0.73889 0.84593 1.00000
S4 S 0.82579 0.26111 0.15407 1.00000
S5 S 0.08989 0.15631 0.57825 1.00000
S6 S 0.91011 0.84369 0.42175 1.00000
S7 S 0.58989 0.07825 0.65631 1.00000
S8 S 0.41011 0.92175 0.34369 1.00000
S9 S 0.13079 0.99401 0.80302 1.00000
S10 S 0.86921 0.00599 0.19698 1.00000
S11 S 0.63079 0.30302 0.49401 1.00000
S12 S 0.36921 0.69698 0.50599 1.00000
S13 S 0.84890 0.57136 0.20460 1.00000
S14 S 0.57211 0.54326 0.77756 1.00000
S15 S 0.34890 0.70460 0.07136 1.00000
S16 S 0.07211 0.27756 0.04326 1.00000
S17 S 0.15110 0.42864 0.79540 1.00000
S18 S 0.42789 0.45674 0.22244 1.00000
S19 S 0.65110 0.29540 0.92864 1.00000
S20 S 0.92789 0.72244 0.95674 1.00000
S21 S 0.44966 0.82688 0.90432 1.00000
S22 S 0.17021 0.07362 0.16298 1.00000
S23 S 0.94966 0.40432 0.32688 1.00000
S24 S 0.67021 0.66298 0.57362 1.00000
S25 S 0.55034 0.17312 0.09568 1.00000
S26 S 0.82979 0.92638 0.83702 1.00000
S27 S 0.05034 0.59568 0.67312 1.00000
S28 S 0.32979 0.33702 0.42638 1.00000
