Li7TlPd5
Alexandria ALEXAlex-ID: agm003679956 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_33_spg44
Li2TlPd Li2Pd LiPd
2022-04-10 07:11:37.704541
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679956).
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 agm003679956
data_agm003679956
_cell_length_a 5.44571
_cell_length_b 6.88379
_cell_length_c 6.88379
_cell_angle_alpha 83.64991
_cell_angle_beta 66.69998
_cell_angle_gamma 66.69998
_cell_volume 217.35746
_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 0.51447 0.48553 0.48553 1.00000
Li2 Li 0.21334 0.78666 0.78666 1.00000
Li3 Li 0.03445 0.26395 0.66715 1.00000
Li4 Li 0.03445 0.66715 0.26395 1.00000
Li5 Li 0.26076 0.23924 0.23924 1.00000
Li6 Li 0.54565 0.79038 0.11832 1.00000
Li7 Li 0.54565 0.11832 0.79038 1.00000
Tl1 Tl 0.88609 0.11391 0.11391 1.00000
Pd1 Pd 0.53466 0.96275 0.45811 1.00000
Pd2 Pd 0.04447 0.96275 0.45811 1.00000
Pd3 Pd 0.53466 0.45811 0.96275 1.00000
Pd4 Pd 0.04447 0.45811 0.96275 1.00000
Pd5 Pd 0.80689 0.69311 0.69311 1.00000
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