Li3(PPd)4
Alexandria ALEXAlex-ID: agm009302879 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_23_spg71
Li3P4Pd7 Li2P2Pd P2Pd
2024-11-10 07:41:39.498049
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009302879).
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
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# CIF generated by HEAS from Alexandria entry agm009302879
data_agm009302879
_cell_length_a 7.43865
_cell_length_b 7.43865
_cell_length_c 7.43865
_cell_angle_alpha 150.03782
_cell_angle_beta 125.05200
_cell_angle_gamma 63.85305
_cell_volume 166.64711
_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 0.88049 0.38049 0.50000 1.00000
Li2 Li 0.11951 0.61951 0.50000 1.00000
Li3 Li 0.50000 0.50000 0.00000 1.00000
P1 P 0.27235 0.27235 0.00000 1.00000
P2 P 0.72765 0.72765 0.00000 1.00000
P3 P 0.15872 0.00000 0.15872 1.00000
P4 P 0.84128 0.00000 0.84128 1.00000
Pd1 Pd 0.87333 0.16873 0.70460 1.00000
Pd2 Pd 0.53588 0.83127 0.70460 1.00000
Pd3 Pd 0.12667 0.83127 0.29540 1.00000
Pd4 Pd 0.46412 0.16873 0.29540 1.00000
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