LiPrSnPd2
Alexandria ALEXAlex-ID: agm048582007 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_37_spg107
PrSnPd LiPrSnPd Li2SnPd Pr8SnPd24
2025-04-16 16:03:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048582007).
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 agm048582007
data_agm048582007
_cell_length_a 6.93280
_cell_length_b 6.93280
_cell_length_c 6.93280
_cell_angle_alpha 145.85090
_cell_angle_beta 145.85090
_cell_angle_gamma 49.06827
_cell_volume 104.53195
_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 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.25000 0.75000 0.50000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.85741 0.35741 0.50000 1.00000
Pd2 Pd 0.64259 0.14259 0.50000 1.00000
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