NbPd2Ru
Alexandria ALEXAlex-ID: agm005779341 · Space group: Pmma (#51)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_251_spg129
NbPd2Ru
2023-07-12 07:35:11.465526
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779341).
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 agm005779341
data_agm005779341
_cell_length_a 3.94548
_cell_length_b 3.81790
_cell_length_c 8.26096
_cell_angle_alpha 89.97183
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 124.43866
_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
Nb1 Nb 0.75000 0.00028 0.63770 1.00000
Nb2 Nb 0.25000 0.99972 0.36229 1.00000
Pd1 Pd 0.75000 0.49995 0.87362 1.00000
Pd2 Pd 0.25000 0.50005 0.12638 1.00000
Pd3 Pd 0.25000 1.00000 0.86849 1.00000
Pd4 Pd 0.75000 0.00000 0.13151 1.00000
Ru1 Ru 0.25000 0.50063 0.62690 1.00000
Ru2 Ru 0.75000 0.49937 0.37310 1.00000
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