Li5(AcPd2)2
Alexandria ALEXAlex-ID: agm005681198 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
Li4AcPd2 Li2AcPd2
2023-06-22 01:34:27.832570
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681198).
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 agm005681198
data_agm005681198
_cell_length_a 5.61597
_cell_length_b 5.61597
_cell_length_c 8.59614
_cell_angle_alpha 99.37291
_cell_angle_beta 99.37290
_cell_angle_gamma 120.09500
_cell_volume 221.73742
_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 0.50000 0.50000 0.00000 1.00000
Li2 Li 0.50000 0.00000 0.00000 1.00000
Li3 Li 0.00000 0.50000 0.00000 1.00000
Li4 Li 0.75000 0.25000 0.50000 1.00000
Li5 Li 0.25000 0.75000 0.50000 1.00000
Ac1 Ac 0.85440 0.85440 0.70880 1.00000
Ac2 Ac 0.14560 0.14560 0.29120 1.00000
Pd1 Pd 0.47872 0.78312 0.26184 1.00000
Pd2 Pd 0.52128 0.21688 0.73816 1.00000
Pd3 Pd 0.21688 0.52128 0.73816 1.00000
Pd4 Pd 0.78312 0.47872 0.26184 1.00000
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