Li(Y3Pd)2
Alexandria ALEXAlex-ID: agm005642710 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_944_spg12
Y3Pd Li
2023-07-08 14:37:47.589901
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642710).
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 agm005642710
data_agm005642710
_cell_length_a 4.03453
_cell_length_b 7.29038
_cell_length_c 8.75492
_cell_angle_alpha 80.37019
_cell_angle_beta 76.67849
_cell_angle_gamma 73.93651
_cell_volume 239.31728
_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 0.00000 0.50000 0.50000 1.00000
Y1 Y 0.01932 0.14160 0.81975 1.00000
Y2 Y 0.28079 0.31659 0.12184 1.00000
Y3 Y 0.71921 0.68341 0.87816 1.00000
Y4 Y 0.33566 0.80384 0.52484 1.00000
Y5 Y 0.66434 0.19616 0.47516 1.00000
Y6 Y 0.98068 0.85840 0.18025 1.00000
Pd1 Pd 0.40496 0.44321 0.74688 1.00000
Pd2 Pd 0.59504 0.55679 0.25312 1.00000
Get direct link