Li7TlSb4
Alexandria ALEXAlex-ID: agm003667494 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Tl2Sb Li2Sb
2022-04-20 10:13:56.270406
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667494).
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 agm003667494
data_agm003667494
_cell_length_a 5.07715
_cell_length_b 8.89720
_cell_length_c 6.69981
_cell_angle_alpha 86.32946
_cell_angle_beta 67.73429
_cell_angle_gamma 73.42186
_cell_volume 268.10558
_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
Li1 Li 0.78132 0.89440 0.54295 1.00000
Li2 Li 0.21868 0.10560 0.45705 1.00000
Li3 Li 0.08630 0.64209 0.18531 1.00000
Li4 Li 0.91370 0.35791 0.81469 1.00000
Li5 Li 0.35486 0.56373 0.72655 1.00000
Li6 Li 0.50000 0.00000 0.00000 1.00000
Li7 Li 0.64514 0.43627 0.27345 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.56645 0.22644 0.64066 1.00000
Sb2 Sb 0.43355 0.77356 0.35934 1.00000
Sb3 Sb 0.71047 0.68918 0.88988 1.00000
Sb4 Sb 0.28953 0.31082 0.11012 1.00000
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