CoNi5O6
Alexandria ALEXAlex-ID: agm034002477 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Co3O4 NiO Ni
2024-10-25 16:13:13.620922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034002477).
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 agm034002477
data_agm034002477
_cell_length_a 6.70413
_cell_length_b 6.70413
_cell_length_c 5.99231
_cell_angle_alpha 77.16434
_cell_angle_beta 77.16434
_cell_angle_gamma 25.82827
_cell_volume 114.25061
_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
Co1 Co 0.50000 0.50000 0.50000 1.00000
Ni1 Ni 0.83316 0.83316 0.83353 1.00000
Ni2 Ni 0.16684 0.16684 0.16647 1.00000
Ni3 Ni 0.50000 0.50000 0.00000 1.00000
Ni4 Ni 0.83325 0.83325 0.33285 1.00000
Ni5 Ni 0.16675 0.16675 0.66715 1.00000
O1 O 0.33199 0.33199 0.58428 1.00000
O2 O 0.66686 0.66686 0.91673 1.00000
O3 O 0.66801 0.66801 0.41572 1.00000
O4 O 0.00014 0.00014 0.24663 1.00000
O5 O 0.99986 0.99986 0.75337 1.00000
O6 O 0.33314 0.33314 0.08327 1.00000
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