Li2Er(SnPd)2
Alexandria ALEXAlex-ID: agm024196944 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
ErSnPd Li2SnPd
2025-04-18 12:11:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024196944).
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 agm024196944
data_agm024196944
_cell_length_a 4.66500
_cell_length_b 4.66500
_cell_length_c 7.50981
_cell_angle_alpha 71.85697
_cell_angle_beta 108.14303
_cell_angle_gamma 120.08723
_cell_volume 131.96115
_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 0.85267 0.14733 0.05765 1.00000
Li2 Li 0.14733 0.85267 0.94235 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.42211 0.57789 0.76719 1.00000
Sn2 Sn 0.57789 0.42211 0.23281 1.00000
Pd1 Pd 0.27074 0.72926 0.31123 1.00000
Pd2 Pd 0.72926 0.27074 0.68877 1.00000
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