TlInSn4
Alexandria ALEXAlex-ID: agm005752114 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_684_spg1
Tl6In Sn In
2023-07-28 14:34:33.264153
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752114).
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 agm005752114
data_agm005752114
_cell_length_a 5.53462
_cell_length_b 6.35450
_cell_length_c 6.35450
_cell_angle_alpha 97.52381
_cell_angle_beta 115.27800
_cell_angle_gamma 115.27801
_cell_volume 168.79150
_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 0.00000 0.50000 0.00000 1.00000
In1 In 0.50000 0.00000 0.50000 1.00000
Sn1 Sn 0.24955 0.41655 0.58138 1.00000
Sn2 Sn 0.24955 0.08138 0.91655 1.00000
Sn3 Sn 0.75045 0.91862 0.08345 1.00000
Sn4 Sn 0.75045 0.58345 0.41862 1.00000
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