Ni3B2Ru
Alexandria ALEXAlex-ID: agm005596166 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1186_spg12
BRu Ni3B
2023-08-26 18:38:57.924288
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005596166).
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 agm005596166
data_agm005596166
_cell_length_a 2.83472
_cell_length_b 6.31056
_cell_length_c 7.00314
_cell_angle_alpha 109.37742
_cell_angle_beta 101.67670
_cell_angle_gamma 89.99999
_cell_volume 115.42846
_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 0.67516 0.94211 0.35031 1.00000
Ni2 Ni 0.01776 0.81103 0.03552 1.00000
Ni3 Ni 0.40682 0.46943 0.81363 1.00000
Ni4 Ni 0.59318 0.53057 0.18637 1.00000
Ni5 Ni 0.98224 0.18897 0.96448 1.00000
Ni6 Ni 0.32484 0.05789 0.64969 1.00000
B1 B 0.43106 0.90058 0.86212 1.00000
B2 B 0.56894 0.09942 0.13788 1.00000
B3 B 0.18819 0.72212 0.37637 1.00000
B4 B 0.81181 0.27788 0.62363 1.00000
Ru1 Ru 0.19334 0.30999 0.38669 1.00000
Ru2 Ru 0.80666 0.69001 0.61331 1.00000
Get direct link