Th3Tl2Sn3
Alexandria ALEXAlex-ID: agm009876926 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_5_spg193
Th5Sn4 Tl ThSn2
2024-04-06 14:59:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009876926).
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 agm009876926
data_agm009876926
_cell_length_a 9.07710
_cell_length_b 9.07710
_cell_length_c 6.46966
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.62942
_cell_volume 508.02386
_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
Th1 Th 0.34617 0.99428 0.75000 1.00000
Th2 Th 0.65817 0.65817 0.75000 1.00000
Th3 Th 0.99428 0.34617 0.75000 1.00000
Th4 Th 0.65383 0.00572 0.25000 1.00000
Th5 Th 0.34183 0.34183 0.25000 1.00000
Th6 Th 0.00572 0.65383 0.25000 1.00000
Tl1 Tl 0.33179 0.66821 0.00000 1.00000
Tl2 Tl 0.66821 0.33179 0.50000 1.00000
Tl3 Tl 0.66821 0.33179 0.00000 1.00000
Tl4 Tl 0.33179 0.66821 0.50000 1.00000
Sn1 Sn 0.71531 0.02397 0.75000 1.00000
Sn2 Sn 0.34676 0.34676 0.75000 1.00000
Sn3 Sn 0.02397 0.71531 0.75000 1.00000
Sn4 Sn 0.28469 0.97603 0.25000 1.00000
Sn5 Sn 0.65324 0.65324 0.25000 1.00000
Sn6 Sn 0.97603 0.28469 0.25000 1.00000
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