Li6PdPt5
Alexandria ALEXAlex-ID: agm063672398 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_49_spg12
LiPd LiPt
2025-02-02 08:43:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063672398).
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 agm063672398
data_agm063672398
_cell_length_a 4.78130
_cell_length_b 4.78130
_cell_length_c 8.62922
_cell_angle_alpha 84.71963
_cell_angle_beta 95.28037
_cell_angle_gamma 60.01411
_cell_volume 167.94811
_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 0.41858 0.91695 0.74986 1.00000
Li2 Li 0.91695 0.41858 0.25014 1.00000
Li3 Li 0.25243 0.74757 0.25019 1.00000
Li4 Li 0.74757 0.25243 0.74981 1.00000
Li5 Li 0.08305 0.58142 0.74986 1.00000
Li6 Li 0.58142 0.08305 0.25014 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.83350 0.83350 0.00000 1.00000
Pt2 Pt 0.66665 0.66665 0.50000 1.00000
Pt3 Pt 0.50000 0.50000 0.00000 1.00000
Pt4 Pt 0.33335 0.33335 0.50000 1.00000
Pt5 Pt 0.16650 0.16650 0.00000 1.00000
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