LiPd3(AuO2)4
Alexandria ALEXAlex-ID: agm050784573 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_62_spg166
LiPd2(AuO2)3 Pd2O3 Au2O3 Au
2024-09-14 00:36:28.381640
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050784573).
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 agm050784573
data_agm050784573
_cell_length_a 6.31585
_cell_length_b 6.31585
_cell_length_c 7.15710
_cell_angle_alpha 63.80698
_cell_angle_beta 63.80698
_cell_angle_gamma 59.97069
_cell_volume 212.67067
_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 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pd2 Pd 0.00000 0.50000 0.50000 1.00000
Pd3 Pd 0.50000 0.00000 0.50000 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.50000 0.00000 0.00000 1.00000
Au3 Au 0.00000 0.00000 0.00000 1.00000
Au4 Au 0.00000 0.50000 0.00000 1.00000
O1 O 0.38347 0.89850 0.33475 1.00000
O2 O 0.38342 0.38342 0.33472 1.00000
O3 O 0.11053 0.11053 0.66838 1.00000
O4 O 0.89850 0.38347 0.33475 1.00000
O5 O 0.10150 0.61653 0.66525 1.00000
O6 O 0.88947 0.88947 0.33162 1.00000
O7 O 0.61658 0.61658 0.66528 1.00000
O8 O 0.61653 0.10150 0.66525 1.00000
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