TlIn2
Alexandria ALEXAlex-ID: agm010212334 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_104_spg2
Tl6In In
2024-05-09 23:04:00.444003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010212334).
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 agm010212334
data_agm010212334
_cell_length_a 9.01958
_cell_length_b 9.01958
_cell_length_c 9.01958
_cell_angle_alpha 150.43902
_cell_angle_beta 150.43902
_cell_angle_gamma 42.29735
_cell_volume 178.16115
_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 0.32734 0.32734 0.00000 1.00000
Tl2 Tl 0.67266 0.67266 0.00000 1.00000
In1 In 0.50000 0.00000 0.50000 1.00000
In2 In 0.00000 0.50000 0.50000 1.00000
In3 In 0.13474 0.13474 0.00000 1.00000
In4 In 0.86526 0.86526 0.00000 1.00000
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