Li4AgPd4
Alexandria ALEXAlex-ID: agm006049331 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_201_spg139
Ag LiPd
2023-08-11 11:12:29.281760
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006049331).
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 agm006049331
data_agm006049331
_cell_length_a 3.94172
_cell_length_b 6.13632
_cell_length_c 6.13632
_cell_angle_alpha 84.07907
_cell_angle_beta 71.26575
_cell_angle_gamma 71.26576
_cell_volume 133.11254
_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 0.32722 0.34566 0.99990 1.00000
Li2 Li 0.67278 0.65434 0.00010 1.00000
Li3 Li 0.67288 0.99990 0.65434 1.00000
Li4 Li 0.32712 0.00010 0.34566 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.00004 0.66952 0.33039 1.00000
Pd2 Pd 0.99996 0.33048 0.66961 1.00000
Pd3 Pd 0.66956 0.33039 0.33048 1.00000
Pd4 Pd 0.33044 0.66961 0.66952 1.00000
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