Li(NiPd3)2
Alexandria ALEXAlex-ID: agm005656042 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2818_spg12
LiPd7 LiPd3 Ni
2023-07-08 14:13:25.427237
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656042).
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 agm005656042
data_agm005656042
_cell_length_a 2.73341
_cell_length_b 11.51243
_cell_length_c 4.66348
_cell_angle_alpha 68.42964
_cell_angle_beta 72.95835
_cell_angle_gamma 83.18201
_cell_volume 130.47138
_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
Ni1 Ni 0.16192 0.82079 0.85537 1.00000
Ni2 Ni 0.83808 0.17921 0.14463 1.00000
Pd1 Pd 0.72204 0.61014 0.94579 1.00000
Pd2 Pd 0.27796 0.38986 0.05421 1.00000
Pd3 Pd 0.86853 0.93935 0.32358 1.00000
Pd4 Pd 0.44764 0.72297 0.38175 1.00000
Pd5 Pd 0.13147 0.06065 0.67642 1.00000
Pd6 Pd 0.55236 0.27703 0.61825 1.00000
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