Na6PdAu2
Alexandria ALEXAlex-ID: agm003484565 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_102_spg166
Na4PdAu Na2Au
2022-02-28 16:27:09.599844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003484565).
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 agm003484565
data_agm003484565
_cell_length_a 5.03616
_cell_length_b 5.03616
_cell_length_c 10.53300
_cell_angle_alpha 76.16859
_cell_angle_beta 76.16859
_cell_angle_gamma 60.00000
_cell_volume 222.36659
_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
Na1 Na 0.58543 0.58543 0.24371 1.00000
Na2 Na 0.80869 0.80869 0.57392 1.00000
Na3 Na 0.69639 0.69639 0.91082 1.00000
Na4 Na 0.19131 0.19131 0.42608 1.00000
Na5 Na 0.41457 0.41457 0.75629 1.00000
Na6 Na 0.30361 0.30361 0.08918 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.91015 0.91015 0.26956 1.00000
Au2 Au 0.08985 0.08985 0.73044 1.00000
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