LiNi2Pd3O8
Alexandria ALEXAlex-ID: agm040287701 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_5_spg160
Ni6PdO8 Ni(PdO2)3 Li2NiPd3O8 PdO
2025-02-07 09:07:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040287701).
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 agm040287701
data_agm040287701
_cell_length_a 6.07292
_cell_length_b 6.07292
_cell_length_c 6.07292
_cell_angle_alpha 60.65513
_cell_angle_beta 60.65513
_cell_angle_gamma 60.65513
_cell_volume 160.71391
_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 0.76060 0.76060 0.76060 1.00000
Ni1 Ni 0.37576 0.37576 0.37576 1.00000
Ni2 Ni 0.99261 0.99261 0.99261 1.00000
Pd1 Pd 0.37688 0.37688 0.87057 1.00000
Pd2 Pd 0.87057 0.37688 0.37688 1.00000
Pd3 Pd 0.37688 0.87057 0.37688 1.00000
O1 O 0.61767 0.61767 0.61767 1.00000
O2 O 0.61530 0.61530 0.16216 1.00000
O3 O 0.16216 0.61530 0.61530 1.00000
O4 O 0.61530 0.16216 0.61530 1.00000
O5 O 0.13393 0.13393 0.13393 1.00000
O6 O 0.13110 0.13110 0.59479 1.00000
O7 O 0.59479 0.13110 0.13110 1.00000
O8 O 0.13110 0.59479 0.13110 1.00000
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