Sr3LiPd2
Alexandria ALEXAlex-ID: agm005677387 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2100_spg14
SrLi2Pd Sr3Pd2 Sr7Pd3
2023-08-22 14:05:24.819330
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677387).
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 agm005677387
data_agm005677387
_cell_length_a 6.30081
_cell_length_b 12.15963
_cell_length_c 10.02181
_cell_angle_alpha 90.00000
_cell_angle_beta 107.45365
_cell_angle_gamma 90.00000
_cell_volume 732.47517
_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
Sr1 Sr 0.25638 0.91038 0.98493 1.00000
Sr2 Sr 0.24362 0.41038 0.51507 1.00000
Sr3 Sr 0.74362 0.08962 0.01507 1.00000
Sr4 Sr 0.75638 0.58962 0.48493 1.00000
Sr5 Sr 0.31226 0.54637 0.10931 1.00000
Sr6 Sr 0.18774 0.04637 0.39069 1.00000
Sr7 Sr 0.68774 0.45363 0.89069 1.00000
Sr8 Sr 0.81226 0.95363 0.60931 1.00000
Sr9 Sr 0.83992 0.76701 0.17367 1.00000
Sr10 Sr 0.66008 0.26701 0.32633 1.00000
Sr11 Sr 0.16008 0.23299 0.82633 1.00000
Sr12 Sr 0.33992 0.73299 0.67367 1.00000
Li1 Li 0.42941 0.80850 0.33219 1.00000
Li2 Li 0.07059 0.30850 0.16781 1.00000
Li3 Li 0.57059 0.19150 0.66781 1.00000
Li4 Li 0.92941 0.69150 0.83219 1.00000
Pd1 Pd 0.62024 0.99160 0.27892 1.00000
Pd2 Pd 0.87976 0.49160 0.22108 1.00000
Pd3 Pd 0.37976 0.00840 0.72108 1.00000
Pd4 Pd 0.12024 0.50840 0.77892 1.00000
Pd5 Pd 0.21994 0.63490 0.37401 1.00000
Pd6 Pd 0.28006 0.13490 0.12599 1.00000
Pd7 Pd 0.78006 0.36510 0.62599 1.00000
Pd8 Pd 0.71994 0.86510 0.87401 1.00000
