Tl5Ga2S5
Alexandria ALEXAlex-ID: agm003374136 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_24_spg12
TlGaS2 Tl2S Tl
2022-02-08 21:53:49.650893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003374136).
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 agm003374136
data_agm003374136
_cell_length_a 3.81582
_cell_length_b 7.68917
_cell_length_c 11.47589
_cell_angle_alpha 96.59029
_cell_angle_beta 90.00000
_cell_angle_gamma 104.36685
_cell_volume 323.88140
_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 0.50000 0.00000 0.50000 1.00000
Tl2 Tl 0.65621 0.31243 0.07409 1.00000
Tl3 Tl 0.75322 0.50644 0.37330 1.00000
Tl4 Tl 0.24678 0.49356 0.62670 1.00000
Tl5 Tl 0.34379 0.68757 0.92591 1.00000
Ga1 Ga 0.03258 0.06517 0.79995 1.00000
Ga2 Ga 0.96742 0.93483 0.20005 1.00000
S1 S 0.10121 0.20243 0.31594 1.00000
S2 S 0.62324 0.24648 0.78179 1.00000
S3 S 0.37676 0.75352 0.21821 1.00000
S4 S 0.89879 0.79757 0.68406 1.00000
S5 S 0.00000 0.00000 0.00000 1.00000
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