TlAgS5
Alexandria ALEXAlex-ID: agm005756616 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1248_spg15
AgS2 Tl2S5 AgS9
2023-07-15 06:05:03.045626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756616).
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 agm005756616
data_agm005756616
_cell_length_a 9.49079
_cell_length_b 9.47950
_cell_length_c 5.81204
_cell_angle_alpha 97.77873
_cell_angle_beta 97.67650
_cell_angle_gamma 118.39169
_cell_volume 443.86179
_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
Tl1 Tl 0.77646 0.72359 0.25010 1.00000
Tl2 Tl 0.22354 0.27641 0.74990 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.50000 0.50000 1.00000
S1 S 0.10221 0.50866 0.12959 1.00000
S2 S 0.81834 0.98926 0.66224 1.00000
S3 S 0.00818 0.60216 0.62977 1.00000
S4 S 0.40783 0.09147 0.24905 1.00000
S5 S 0.51121 0.68187 0.83878 1.00000
S6 S 0.48879 0.31813 0.16122 1.00000
S7 S 0.59217 0.90853 0.75095 1.00000
S8 S 0.99182 0.39784 0.37023 1.00000
S9 S 0.18166 0.01074 0.33776 1.00000
S10 S 0.89779 0.49134 0.87041 1.00000
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