Li4CdPd6
Alexandria ALEXAlex-ID: agm003661586 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_23_spg121
LiCdPd2 Li3Pd5 LiPd
2022-04-08 11:37:37.317823
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661586).
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 agm003661586
data_agm003661586
_cell_length_a 6.16645
_cell_length_b 6.16645
_cell_length_c 6.16645
_cell_angle_alpha 87.53964
_cell_angle_beta 121.43051
_cell_angle_gamma 121.43051
_cell_volume 162.05511
_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 1.00000 0.26001 0.59289 1.00000
Li2 Li 0.66712 0.40711 0.40711 1.00000
Li3 Li 1.00000 0.59289 0.26001 1.00000
Li4 Li 0.33288 0.73999 0.73999 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 1.00000 0.90231 0.52508 1.00000
Pd2 Pd 1.00000 0.52508 0.90231 1.00000
Pd3 Pd 0.62277 0.09769 0.09769 1.00000
Pd4 Pd 0.50000 0.00000 0.50000 1.00000
Pd5 Pd 0.37723 0.47492 0.47492 1.00000
Pd6 Pd 0.50000 0.50000 0.00000 1.00000
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