SmTlS14
Alexandria ALEXAlex-ID: agm005756598 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_118_spg15
TlS11 SmS13 SmS2
2023-07-21 04:00:21.714436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756598).
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 agm005756598
data_agm005756598
_cell_length_a 20.14809
_cell_length_b 9.17890
_cell_length_c 9.17890
_cell_angle_alpha 56.98869
_cell_angle_beta 50.58018
_cell_angle_gamma 50.58021
_cell_volume 984.12048
_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
Sm1 Sm 0.50000 0.00000 0.50000 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.25000 0.23481 0.26519 1.00000
Tl2 Tl 0.75000 0.76519 0.73481 1.00000
S1 S 0.70700 0.34500 0.12791 1.00000
S2 S 0.29300 0.65500 0.87209 1.00000
S3 S 0.20700 0.62791 0.84500 1.00000
S4 S 0.79300 0.37209 0.15500 1.00000
S5 S 0.14451 0.98900 0.49353 1.00000
S6 S 0.85549 0.01100 0.50647 1.00000
S7 S 0.64451 0.99353 0.48900 1.00000
S8 S 0.35549 0.00647 0.51100 1.00000
S9 S 0.10229 0.90259 0.78766 1.00000
S10 S 0.89771 0.09741 0.21234 1.00000
S11 S 0.60229 0.28766 0.40259 1.00000
S12 S 0.39771 0.71234 0.59741 1.00000
S13 S 0.88298 0.54197 0.23449 1.00000
S14 S 0.55650 0.45521 0.76578 1.00000
S15 S 0.38298 0.73449 0.04197 1.00000
S16 S 0.05650 0.26578 0.95521 1.00000
S17 S 0.11702 0.45803 0.76551 1.00000
S18 S 0.44350 0.54479 0.23422 1.00000
S19 S 0.61702 0.26551 0.95803 1.00000
S20 S 0.94350 0.73422 0.04479 1.00000
S21 S 0.42271 0.94519 0.91105 1.00000
S22 S 0.13280 0.07453 0.10760 1.00000
S23 S 0.92272 0.41105 0.44519 1.00000
S24 S 0.63280 0.60760 0.57453 1.00000
S25 S 0.57729 0.05481 0.08895 1.00000
S26 S 0.86720 0.92547 0.89240 1.00000
S27 S 0.07728 0.58895 0.55481 1.00000
S28 S 0.36720 0.39240 0.42547 1.00000
