Tl3Sn3PbS8
Alexandria ALEXAlex-ID: agm011660151 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3D8_57_spg5
Tl(SnS2)4 Tl4SnS4 SnS PbS
2024-05-05 21:14:34.880607
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011660151).
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 agm011660151
data_agm011660151
_cell_length_a 7.03602
_cell_length_b 7.03602
_cell_length_c 10.24914
_cell_angle_alpha 80.78275
_cell_angle_beta 80.78275
_cell_angle_gamma 66.26055
_cell_volume 455.88130
_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 0.70458 0.29542 0.50000 1.00000
Tl2 Tl 0.84680 0.68388 0.22618 1.00000
Tl3 Tl 0.31612 0.15320 0.77382 1.00000
Sn1 Sn 0.91359 0.87006 0.78991 1.00000
Sn2 Sn 0.12994 0.08641 0.21009 1.00000
Sn3 Sn 0.24984 0.75016 0.50000 1.00000
Pb1 Pb 0.57708 0.42292 0.00000 1.00000
S1 S 0.18787 0.13556 0.43358 1.00000
S2 S 0.67632 0.80035 0.96290 1.00000
S3 S 0.30201 0.70743 0.23504 1.00000
S4 S 0.85116 0.23700 0.77659 1.00000
S5 S 0.86444 0.81213 0.56642 1.00000
S6 S 0.19965 0.32368 0.03710 1.00000
S7 S 0.76300 0.14884 0.22341 1.00000
S8 S 0.29257 0.69799 0.76496 1.00000
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