Na2Tl5In4
Alexandria ALEXAlex-ID: agm005654877 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_933_spg2
Tl6In NaTl2 In
2023-06-22 06:50:59.097925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654877).
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 agm005654877
data_agm005654877
_cell_length_a 6.88702
_cell_length_b 11.53916
_cell_length_c 7.80788
_cell_angle_alpha 134.55795
_cell_angle_beta 100.73720
_cell_angle_gamma 109.04981
_cell_volume 329.00619
_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 0.76049 0.83207 0.63269 1.00000
Na2 Na 0.23951 0.16793 0.36731 1.00000
Tl1 Tl 0.55098 0.71268 0.91166 1.00000
Tl2 Tl 0.44902 0.28732 0.08834 1.00000
Tl3 Tl 0.50000 0.00000 0.50000 1.00000
Tl4 Tl 0.97140 0.65292 0.80339 1.00000
Tl5 Tl 0.02860 0.34708 0.19661 1.00000
In1 In 0.74047 0.17580 0.33598 1.00000
In2 In 0.25953 0.82420 0.66402 1.00000
In3 In 0.77970 0.52406 0.03680 1.00000
In4 In 0.22030 0.47594 0.96320 1.00000
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