Co6Ni8B
Alexandria ALEXAlex-ID: agm072142189 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_0_spg148
CoNi3 Co3Ni Ni3B
2024-10-05 10:32:57.781185
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072142189).
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 agm072142189
data_agm072142189
_cell_length_a 5.65764
_cell_length_b 5.65764
_cell_length_c 5.65764
_cell_angle_alpha 72.70851
_cell_angle_beta 72.70851
_cell_angle_gamma 72.70851
_cell_volume 160.70308
_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 0.81350 0.53356 0.39971 1.00000
Co2 Co 0.53356 0.39971 0.81350 1.00000
Co3 Co 0.39971 0.81350 0.53356 1.00000
Co4 Co 0.18650 0.46644 0.60029 1.00000
Co5 Co 0.46644 0.60029 0.18650 1.00000
Co6 Co 0.60029 0.18650 0.46644 1.00000
Ni1 Ni 0.74749 0.74749 0.74749 1.00000
Ni2 Ni 0.25251 0.25251 0.25251 1.00000
Ni3 Ni 0.11694 0.65813 0.96186 1.00000
Ni4 Ni 0.65813 0.96186 0.11694 1.00000
Ni5 Ni 0.96186 0.11694 0.65813 1.00000
Ni6 Ni 0.88306 0.34187 0.03814 1.00000
Ni7 Ni 0.34187 0.03814 0.88306 1.00000
Ni8 Ni 0.03814 0.88306 0.34187 1.00000
B1 B 0.00000 0.00000 0.00000 1.00000
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