Co3Ni4
Alexandria ALEXAlex-ID: agm008740901 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_20_spg191
CoNi3 Co3Ni
2025-06-11 08:13:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008740901).
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 agm008740901
data_agm008740901
_cell_length_a 4.29968
_cell_length_b 4.29968
_cell_length_c 5.56677
_cell_angle_alpha 82.60695
_cell_angle_beta 97.39305
_cell_angle_gamma 131.58840
_cell_volume 76.20298
_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 0.00000 0.00000 0.50000 1.00000
Co2 Co 0.28497 0.71503 0.35926 1.00000
Co3 Co 0.71503 0.28497 0.64074 1.00000
Ni1 Ni 0.14402 0.85598 0.92746 1.00000
Ni2 Ni 0.85598 0.14402 0.07254 1.00000
Ni3 Ni 0.42967 0.57033 0.78302 1.00000
Ni4 Ni 0.57033 0.42967 0.21698 1.00000
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