Li2NdAgPd2
Alexandria ALEXAlex-ID: agm004744572 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_308_spg164
Nd3Pd5 Li2Pd LiAg NdPd
2022-07-12 01:08:33.789277
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004744572).
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 agm004744572
data_agm004744572
_cell_length_a 4.36130
_cell_length_b 4.36130
_cell_length_c 6.70394
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 110.43138
_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 0.33333 0.66667 0.64770 1.00000
Li2 Li 0.66667 0.33333 0.35230 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.33333 0.66667 0.25436 1.00000
Pd2 Pd 0.66667 0.33333 0.74564 1.00000
