Ta2Tl2In
Alexandria ALEXAlex-ID: agm005407865 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_581_spg139
Tl6In Ta In
2023-03-17 15:59:28.344694
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005407865).
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 agm005407865
data_agm005407865
_cell_length_a 7.54100
_cell_length_b 7.54100
_cell_length_c 7.54100
_cell_angle_alpha 148.27586
_cell_angle_beta 148.27586
_cell_angle_gamma 45.47830
_cell_volume 118.18370
_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
Ta1 Ta 0.58917 0.58917 0.00000 1.00000
Ta2 Ta 0.41083 0.41083 0.00000 1.00000
Tl1 Tl 0.25000 0.75000 0.50000 1.00000
Tl2 Tl 0.75000 0.25000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
