Ba3(Li2Pd)2
Alexandria ALEXAlex-ID: agm005659010 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_134_spg12
Li15Pd4 Ba3Pd Li
2023-06-27 09:43:04.184430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659010).
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 agm005659010
data_agm005659010
_cell_length_a 5.08180
_cell_length_b 6.46483
_cell_length_c 9.41650
_cell_angle_alpha 66.30249
_cell_angle_beta 89.92530
_cell_angle_gamma 66.90558
_cell_volume 256.04456
_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
Ba1 Ba 0.60160 0.79724 0.37075 1.00000
Ba2 Ba 0.00000 0.00000 0.00000 1.00000
Ba3 Ba 0.39840 0.20276 0.62925 1.00000
Li1 Li 0.28949 0.42150 0.96763 1.00000
Li2 Li 0.87823 0.24469 0.33161 1.00000
Li3 Li 0.12177 0.75531 0.66839 1.00000
Li4 Li 0.71051 0.57850 0.03237 1.00000
Pd1 Pd 0.70831 0.58150 0.75371 1.00000
Pd2 Pd 0.29169 0.41850 0.24629 1.00000
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