NbCoPd
Alexandria ALEXAlex-ID: agm005655048 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_1943_spg63
Nb6Co7 NbCo3 NbPd2
2023-06-17 05:38:14.345451
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005655048).
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 agm005655048
data_agm005655048
_cell_length_a 4.26544
_cell_length_b 3.05426
_cell_length_c 6.87984
_cell_angle_alpha 102.82489
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 87.39299
_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 0.25000 0.09337 0.18675 1.00000
Nb2 Nb 0.75000 0.90663 0.81325 1.00000
Co1 Co 0.25000 0.44307 0.88614 1.00000
Co2 Co 0.75000 0.55693 0.11386 1.00000
Pd1 Pd 0.25000 0.77485 0.54970 1.00000
Pd2 Pd 0.75000 0.22515 0.45030 1.00000
Get direct link