LiTePd4
Alexandria ALEXAlex-ID: agm005752529 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1401_spg38
Te3Pd13 Li2TePd5 Te7Pd20
2023-08-05 02:01:44.501896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752529).
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 agm005752529
data_agm005752529
_cell_length_a 4.20454
_cell_length_b 5.75629
_cell_length_c 4.23388
_cell_angle_alpha 90.00079
_cell_angle_beta 89.99997
_cell_angle_gamma 111.43862
_cell_volume 95.38074
_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 0.50000 0.00000 0.50000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.33692 0.67504 0.99999 1.00000
Pd2 Pd 0.66308 0.32496 0.00001 1.00000
Pd3 Pd 0.84229 0.68506 0.49999 1.00000
Pd4 Pd 0.15771 0.31494 0.50001 1.00000
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