Li4Pd4Au3
Alexandria ALEXAlex-ID: agm005696560 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_75_spg12
LiPdAu Li2Pd3Au Li2PdAu
2023-06-29 21:36:41.085679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696560).
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 agm005696560
data_agm005696560
_cell_length_a 2.75600
_cell_length_b 4.34889
_cell_length_c 14.31781
_cell_angle_alpha 81.36150
_cell_angle_beta 84.28318
_cell_angle_gamma 89.88826
_cell_volume 168.80150
_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 0.17791 0.44704 0.10418 1.00000
Li2 Li 0.82206 0.55298 0.89582 1.00000
Li3 Li 0.69266 0.18305 0.63462 1.00000
Li4 Li 0.30730 0.81697 0.36538 1.00000
Pd1 Pd 0.47666 0.90902 0.17917 1.00000
Pd2 Pd 0.73055 0.73277 0.53492 1.00000
Pd3 Pd 0.26943 0.26726 0.46508 1.00000
Pd4 Pd 0.52332 0.09101 0.82083 1.00000
Au1 Au 0.86947 0.35725 0.28415 1.00000
Au2 Au 0.13050 0.64277 0.71585 1.00000
Au3 Au 0.99999 0.00001 0.00000 1.00000
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