Nb(PdPt)4
Alexandria ALEXAlex-ID: agm061528063 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_335_spg12
Nb(PdPt)4
2025-03-29 17:07:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm061528063).
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 agm061528063
data_agm061528063
_cell_length_a 4.87914
_cell_length_b 4.87914
_cell_length_c 8.38116
_cell_angle_alpha 73.11551
_cell_angle_beta 106.88449
_cell_angle_gamma 131.77420
_cell_volume 141.06409
_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 0.00032 0.99968 0.05621 1.00000
Pd1 Pd 0.66764 0.33236 0.94379 1.00000
Pd2 Pd 0.33421 0.66579 0.50222 1.00000
Pd3 Pd 0.99765 0.00235 0.38490 1.00000
Pd4 Pd 0.66557 0.33443 0.60906 1.00000
Pt1 Pt 0.00166 0.99834 0.72859 1.00000
Pt2 Pt 0.33803 0.66197 0.83669 1.00000
Pt3 Pt 0.33271 0.66729 0.16559 1.00000
Pt4 Pt 0.66145 0.33855 0.27296 1.00000
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