Li2Cu3Pd
Alexandria ALEXAlex-ID: agm005668933 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1028_spg15
Li2Pd Cu
2023-08-22 07:07:29.431243
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668933).
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 agm005668933
data_agm005668933
_cell_length_a 4.57937
_cell_length_b 4.57937
_cell_length_c 8.16365
_cell_angle_alpha 100.29522
_cell_angle_beta 100.29522
_cell_angle_gamma 109.42521
_cell_volume 153.53068
_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 0.04381 0.29560 0.08882 1.00000
Li2 Li 0.70440 0.95619 0.41118 1.00000
Li3 Li 0.95619 0.70440 0.91118 1.00000
Li4 Li 0.29560 0.04381 0.58882 1.00000
Cu1 Cu 0.21137 0.46009 0.42354 1.00000
Cu2 Cu 0.53991 0.78863 0.07646 1.00000
Cu3 Cu 0.78863 0.53991 0.57646 1.00000
Cu4 Cu 0.46009 0.21137 0.92354 1.00000
Cu5 Cu 0.62383 0.37617 0.25000 1.00000
Cu6 Cu 0.37617 0.62383 0.75000 1.00000
Pd1 Pd 0.12486 0.87514 0.25000 1.00000
Pd2 Pd 0.87514 0.12486 0.75000 1.00000
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