Li3AgPd6
Alexandria ALEXAlex-ID: agm006010634 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1133_spg55
Li3Pd5 LiAgPd2 LiPd3
2023-09-17 02:18:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010634).
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 agm006010634
data_agm006010634
_cell_length_a 2.80960
_cell_length_b 4.69402
_cell_length_c 22.49855
_cell_angle_alpha 89.99968
_cell_angle_beta 97.25819
_cell_angle_gamma 89.99998
_cell_volume 294.34079
_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 0.30445 0.20446 0.80462 1.00000
Li2 Li 0.50000 0.50000 0.00000 1.00000
Li3 Li 0.69555 0.79554 0.19538 1.00000
Li4 Li 0.80445 0.29556 0.30462 1.00000
Li5 Li 0.00000 0.00000 0.50000 1.00000
Li6 Li 0.19555 0.70444 0.69538 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.39470 0.85494 0.89614 1.00000
Pd2 Pd 0.60137 0.85913 0.60040 1.00000
Pd3 Pd 0.20795 0.30027 0.20666 1.00000
Pd4 Pd 0.79205 0.69973 0.79334 1.00000
Pd5 Pd 0.39863 0.14087 0.39960 1.00000
Pd6 Pd 0.60530 0.14506 0.10386 1.00000
Pd7 Pd 0.89470 0.64506 0.39614 1.00000
Pd8 Pd 0.10137 0.64086 0.10040 1.00000
Pd9 Pd 0.70795 0.19972 0.70666 1.00000
Pd10 Pd 0.29205 0.80028 0.29334 1.00000
Pd11 Pd 0.89863 0.35914 0.89960 1.00000
Pd12 Pd 0.10530 0.35494 0.60386 1.00000
