AcTlS14
Alexandria ALEXAlex-ID: agm005756660 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_124_spg15
TlS11 AcS13 AcS2
2023-07-21 01:01:18.988554
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756660).
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 agm005756660
data_agm005756660
_cell_length_a 10.32262
_cell_length_b 10.87496
_cell_length_c 10.87496
_cell_angle_alpha 63.80805
_cell_angle_beta 64.26744
_cell_angle_gamma 64.26743
_cell_volume 941.34813
_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
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
Ac2 Ac 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.25000 0.34920 0.15080 1.00000
Tl2 Tl 0.75000 0.65080 0.84920 1.00000
S1 S 0.63614 0.25890 0.27850 1.00000
S2 S 0.36386 0.74110 0.72150 1.00000
S3 S 0.13614 0.77850 0.75890 1.00000
S4 S 0.86386 0.22150 0.24110 1.00000
S5 S 0.15134 0.12261 0.60286 1.00000
S6 S 0.84866 0.87739 0.39714 1.00000
S7 S 0.65134 0.10286 0.62261 1.00000
S8 S 0.34866 0.89714 0.37739 1.00000
S9 S 0.03615 0.99276 0.77779 1.00000
S10 S 0.96385 0.00724 0.22221 1.00000
S11 S 0.53615 0.27779 0.49276 1.00000
S12 S 0.46385 0.72221 0.50724 1.00000
S13 S 0.80498 0.47518 0.31273 1.00000
S14 S 0.59386 0.36692 0.87273 1.00000
S15 S 0.30498 0.81273 0.97518 1.00000
S16 S 0.09386 0.37273 0.86692 1.00000
S17 S 0.19502 0.52482 0.68727 1.00000
S18 S 0.40614 0.63308 0.12727 1.00000
S19 S 0.69502 0.18727 0.02482 1.00000
S20 S 0.90614 0.62727 0.13308 1.00000
S21 S 0.47117 0.90877 0.83462 1.00000
S22 S 0.25210 0.24276 0.96238 1.00000
S23 S 0.97117 0.33462 0.40877 1.00000
S24 S 0.75210 0.46238 0.74276 1.00000
S25 S 0.52883 0.09123 0.16538 1.00000
S26 S 0.74790 0.75724 0.03762 1.00000
S27 S 0.02883 0.66538 0.59123 1.00000
S28 S 0.24790 0.53762 0.25724 1.00000
