Na2Tl3Sn4
Alexandria ALEXAlex-ID: agm005654084 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1067_spg12
NaSn2 Tl
2023-06-27 11:32:45.457806
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654084).
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 agm005654084
data_agm005654084
_cell_length_a 4.87534
_cell_length_b 6.24417
_cell_length_c 9.45382
_cell_angle_alpha 76.44123
_cell_angle_beta 75.05746
_cell_angle_gamma 67.02115
_cell_volume 253.08885
_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
Na1 Na 0.33918 0.10393 0.21771 1.00000
Na2 Na 0.66082 0.89607 0.78229 1.00000
Tl1 Tl 0.33073 0.78095 0.55760 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Tl3 Tl 0.66927 0.21905 0.44240 1.00000
Sn1 Sn 0.66640 0.55113 0.11607 1.00000
Sn2 Sn 0.99154 0.35097 0.66594 1.00000
Sn3 Sn 0.00846 0.64903 0.33406 1.00000
Sn4 Sn 0.33360 0.44887 0.88393 1.00000
Get direct link