Tl3(PtS)2
Alexandria ALEXAlex-ID: agm009746715 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_33_spg71
Tl2S Tl2Pt5S6 TlPt
2024-04-06 15:06:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009746715).
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
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# CIF generated by HEAS from Alexandria entry agm009746715
data_agm009746715
_cell_length_a 9.03205
_cell_length_b 9.03205
_cell_length_c 4.77191
_cell_angle_alpha 72.64102
_cell_angle_beta 72.64102
_cell_angle_gamma 27.77016
_cell_volume 172.59836
_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 0.29879 0.29879 0.68397 1.00000
Tl2 Tl 0.00000 0.00000 0.50000 1.00000
Tl3 Tl 0.70121 0.70121 0.31603 1.00000
Pt1 Pt 0.12392 0.12392 0.81116 1.00000
Pt2 Pt 0.87608 0.87608 0.18884 1.00000
S1 S 0.59180 0.59180 0.95722 1.00000
S2 S 0.40820 0.40820 0.04278 1.00000
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