Na5Li2Tl5
Alexandria ALEXAlex-ID: agm005653495 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Na2Tl Li4Tl3 NaTl
2023-06-19 02:44:55.765125
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653495).
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 agm005653495
data_agm005653495
_cell_length_a 4.99828
_cell_length_b 9.30439
_cell_length_c 7.74958
_cell_angle_alpha 70.39622
_cell_angle_beta 71.18657
_cell_angle_gamma 74.41914
_cell_volume 316.13077
_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 0.50000 0.50000 0.50000 1.00000
Na2 Na 0.41037 0.25695 0.92231 1.00000
Na3 Na 0.33010 0.99642 0.34337 1.00000
Na4 Na 0.66990 0.00358 0.65663 1.00000
Na5 Na 0.58963 0.74305 0.07769 1.00000
Li1 Li 0.83347 0.50384 0.82921 1.00000
Li2 Li 0.16653 0.49616 0.17079 1.00000
Tl1 Tl 0.92220 0.72388 0.43173 1.00000
Tl2 Tl 0.25413 0.71600 0.77573 1.00000
Tl3 Tl 0.74587 0.28400 0.22427 1.00000
Tl4 Tl 0.07780 0.27612 0.56827 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
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