BaLi2(SnPd)2
Alexandria ALEXAlex-ID: agm002284573 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Li2SnPd BaSnPd
2018-12-26 17:35:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002284573).
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 agm002284573
data_agm002284573
_cell_length_a 4.59925
_cell_length_b 4.59892
_cell_length_c 9.13246
_cell_angle_alpha 75.59977
_cell_angle_beta 75.55090
_cell_angle_gamma 59.93744
_cell_volume 160.12017
_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 0.54778 0.54893 0.36053 1.00000
Li2 Li 0.45222 0.45107 0.63947 1.00000
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.13366 0.13269 0.59574 1.00000
Pd2 Pd 0.86634 0.86731 0.40426 1.00000
Sn1 Sn 0.76126 0.76041 0.71269 1.00000
Sn2 Sn 0.23874 0.23959 0.28731 1.00000
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