Tl4CdSn2
Alexandria ALEXAlex-ID: agm096572487 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_179_spg10
Tl5Cd2 Sn Tl17Sn12
2025-04-10 16:13:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096572487).
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 agm096572487
data_agm096572487
_cell_length_a 5.26627
_cell_length_b 6.21972
_cell_length_c 6.76552
_cell_angle_alpha 79.62405
_cell_angle_beta 89.99280
_cell_angle_gamma 90.01552
_cell_volume 217.97878
_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 0.49998 0.37795 0.89948 1.00000
Tl2 Tl 0.00011 0.13006 0.32348 1.00000
Tl3 Tl 0.99998 0.58554 0.56382 1.00000
Tl4 Tl 0.50004 0.83161 0.17417 1.00000
Cd1 Cd 0.99999 0.59672 0.06722 1.00000
Sn1 Sn 0.99994 0.06624 0.83193 1.00000
Sn2 Sn 0.49997 0.91189 0.63990 1.00000
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