PmTlS14
Alexandria ALEXAlex-ID: agm005756713 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_135_spg74
TlS11 PmS2 PmS13
2023-07-23 17:06:20.197524
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756713).
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 agm005756713
data_agm005756713
_cell_length_a 10.89339
_cell_length_b 10.89339
_cell_length_c 10.89339
_cell_angle_alpha 127.50481
_cell_angle_beta 97.18830
_cell_angle_gamma 105.42884
_cell_volume 916.21140
_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
Pm1 Pm 0.00000 0.50000 0.00000 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.65873 0.25000 0.40873 1.00000
Tl2 Tl 0.34127 0.75000 0.59127 1.00000
S1 S 0.86746 0.83286 0.03460 1.00000
S2 S 0.13254 0.16714 0.96540 1.00000
S3 S 0.29826 0.33286 0.96540 1.00000
S4 S 0.70174 0.66714 0.03460 1.00000
S5 S 0.04907 0.40931 0.63976 1.00000
S6 S 0.95093 0.59069 0.36024 1.00000
S7 S 0.26955 0.90931 0.36024 1.00000
S8 S 0.73045 0.09069 0.63976 1.00000
S9 S 0.19525 0.36676 0.82849 1.00000
S10 S 0.80475 0.63324 0.17151 1.00000
S11 S 0.03827 0.86676 0.17151 1.00000
S12 S 0.96173 0.13324 0.82849 1.00000
S13 S 0.65631 0.04944 0.00884 1.00000
S14 S 0.34369 0.35253 0.39314 1.00000
S15 S 0.54061 0.54944 0.39314 1.00000
S16 S 0.45939 0.85253 0.00884 1.00000
S17 S 0.34369 0.95056 0.99116 1.00000
S18 S 0.65631 0.64747 0.60686 1.00000
S19 S 0.45939 0.45056 0.60686 1.00000
S20 S 0.54061 0.14747 0.99116 1.00000
S21 S 0.28937 0.69012 0.24780 1.00000
S22 S 0.71063 0.95844 0.40076 1.00000
S23 S 0.94232 0.19012 0.40076 1.00000
S24 S 0.05768 0.45844 0.24780 1.00000
S25 S 0.71063 0.30988 0.75220 1.00000
S26 S 0.28937 0.04156 0.59924 1.00000
S27 S 0.05768 0.80988 0.59924 1.00000
S28 S 0.94232 0.54156 0.75220 1.00000
