LiBPd4
Alexandria ALEXAlex-ID: agm003735293 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1160_spg15
LiBPd3 BPd3 Li2BPd6
2022-04-18 15:19:36.205346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003735293).
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 agm003735293
data_agm003735293
_cell_length_a 4.89896
_cell_length_b 7.27838
_cell_length_c 6.04354
_cell_angle_alpha 116.60830
_cell_angle_beta 100.14283
_cell_angle_gamma 112.37294
_cell_volume 161.75602
_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 0.36565 0.61565 0.23129 1.00000
Li2 Li 0.63435 0.38435 0.76871 1.00000
B1 B 0.25240 0.00240 0.00480 1.00000
B2 B 0.74760 0.99760 0.99520 1.00000
Pd1 Pd 0.06315 0.19089 0.80029 1.00000
Pd2 Pd 0.78156 0.73022 0.67707 1.00000
Pd3 Pd 0.23714 0.60940 0.80029 1.00000
Pd4 Pd 0.39552 0.94686 0.67707 1.00000
Pd5 Pd 0.60448 0.05314 0.32293 1.00000
Pd6 Pd 0.76286 0.39060 0.19971 1.00000
Pd7 Pd 0.21844 0.26978 0.32293 1.00000
Pd8 Pd 0.93685 0.80911 0.19971 1.00000
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