Nb2Co4Ni
Alexandria ALEXAlex-ID: agm005897877 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2765_spg14
Nb6Co7 Nb4(Co3Ni)3 NbCo3
2023-09-12 20:36:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005897877).
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 agm005897877
data_agm005897877
_cell_length_a 8.03952
_cell_length_b 5.24861
_cell_length_c 5.82747
_cell_angle_alpha 131.93762
_cell_angle_beta 90.00056
_cell_angle_gamma 89.99891
_cell_volume 182.91685
_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
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.50000 0.50000 0.00000 1.00000
Nb1 Nb 0.98195 0.65908 0.37210 1.00000
Nb2 Nb 0.01805 0.34092 0.62790 1.00000
Nb3 Nb 0.48195 0.84092 0.62791 1.00000
Nb4 Nb 0.51805 0.15908 0.37209 1.00000
Co1 Co 0.78090 0.77344 0.14116 1.00000
Co2 Co 0.74981 0.66850 0.69297 1.00000
Co3 Co 0.75022 0.16851 0.69298 1.00000
Co4 Co 0.71910 0.27342 0.14115 1.00000
Co5 Co 0.28090 0.72658 0.85885 1.00000
Co6 Co 0.24979 0.83149 0.30702 1.00000
Co7 Co 0.25019 0.33150 0.30703 1.00000
Co8 Co 0.21910 0.22656 0.85884 1.00000
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