Na2Tl3In
Alexandria ALEXAlex-ID: agm017015305 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1900_spg8
NaIn2 NaTl2
2025-04-14 03:54:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017015305).
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 agm017015305
data_agm017015305
_cell_length_a 6.34856
_cell_length_b 6.34856
_cell_length_c 6.72140
_cell_angle_alpha 59.85156
_cell_angle_beta 120.14844
_cell_angle_gamma 129.92031
_cell_volume 172.91935
_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 0.50127 0.49873 0.25025 1.00000
Na2 Na 0.49846 0.50154 0.74915 1.00000
Tl1 Tl 0.84253 0.15747 0.34346 1.00000
Tl2 Tl 0.82753 0.17247 0.83082 1.00000
Tl3 Tl 0.16363 0.83637 0.16157 1.00000
In1 In 0.16661 0.83339 0.66476 1.00000
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