Nb5Pd7
Alexandria ALEXAlex-ID: agm007883176 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_41_spg12
Nb2Pd NbPd2
2024-07-11 00:41:14.843956
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007883176).
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 agm007883176
data_agm007883176
_cell_length_a 7.43773
_cell_length_b 7.43773
_cell_length_c 10.45910
_cell_angle_alpha 64.14141
_cell_angle_beta 64.14141
_cell_angle_gamma 22.33154
_cell_volume 196.92633
_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 0.84026 0.84026 0.47978 1.00000
Nb2 Nb 0.15974 0.15974 0.52022 1.00000
Nb3 Nb 0.69932 0.69932 0.24616 1.00000
Nb4 Nb 0.30068 0.30068 0.75384 1.00000
Nb5 Nb 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.63696 0.63696 0.75703 1.00000
Pd2 Pd 0.36304 0.36304 0.24297 1.00000
Pd3 Pd 0.03277 0.03277 0.24799 1.00000
Pd4 Pd 0.96723 0.96723 0.75201 1.00000
Pd5 Pd 0.33397 0.33397 0.99739 1.00000
Pd6 Pd 0.50000 0.50000 0.50000 1.00000
Pd7 Pd 0.66603 0.66603 0.00261 1.00000
Get direct link