Li8ScPd6
Alexandria ALEXAlex-ID: agm072128115 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_611_spg1
LiScPd2 LiSc2Pd5 Li2Pd
2024-10-06 16:48:41.422422
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072128115).
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 agm072128115
data_agm072128115
_cell_length_a 4.89890
_cell_length_b 7.11964
_cell_length_c 6.97186
_cell_angle_alpha 73.38932
_cell_angle_beta 85.19099
_cell_angle_gamma 73.43699
_cell_volume 223.35042
_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 0.21745 0.39000 0.33026 1.00000
Li2 Li 0.64091 0.74736 0.65896 1.00000
Li3 Li 0.79305 0.18027 0.36000 1.00000
Li4 Li 0.57069 0.61620 0.33282 1.00000
Li5 Li 0.27671 0.52226 0.67680 1.00000
Li6 Li 0.05905 0.94106 0.65642 1.00000
Li7 Li 0.70021 0.88581 0.01821 1.00000
Li8 Li 0.88873 0.51638 0.99265 1.00000
Sc1 Sc 0.11523 0.09039 0.00198 1.00000
Pd1 Pd 0.99760 0.77711 0.34536 1.00000
Pd2 Pd 0.46283 0.12931 0.68323 1.00000
Pd3 Pd 0.54090 0.29051 0.00443 1.00000
Pd4 Pd 0.86320 0.35794 0.65089 1.00000
Pd5 Pd 0.39597 0.00343 0.33692 1.00000
Pd6 Pd 0.29697 0.69878 0.99312 1.00000
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