Li2(TlPd2)3
Alexandria ALEXAlex-ID: agm003348366 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_166_spg139
Li2Tl3Pd7 LiTlPd2 Tl2Pd3
2022-02-02 17:34:01.121627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003348366).
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 agm003348366
data_agm003348366
_cell_length_a 4.13238
_cell_length_b 4.13238
_cell_length_c 11.76959
_cell_angle_alpha 100.11087
_cell_angle_beta 100.11087
_cell_angle_gamma 90.00000
_cell_volume 194.69189
_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 0.45213 0.45213 0.90426 1.00000
Li2 Li 0.54787 0.54787 0.09574 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.80878 0.80878 0.61757 1.00000
Tl3 Tl 0.19122 0.19122 0.38243 1.00000
Pd1 Pd 0.10095 0.60095 0.20189 1.00000
Pd2 Pd 0.60095 0.10095 0.20189 1.00000
Pd3 Pd 0.89905 0.39905 0.79811 1.00000
Pd4 Pd 0.39905 0.89905 0.79811 1.00000
Pd5 Pd 0.68763 0.68763 0.37526 1.00000
Pd6 Pd 0.31237 0.31237 0.62474 1.00000
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