Ni2B
Alexandria ALEXAlex-ID: agm005541540 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_564_spg139
Ni2B
2023-05-28 09:25:15.678242
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005541540).
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 agm005541540
data_agm005541540
_cell_length_a 2.47249
_cell_length_b 4.71186
_cell_length_c 4.92777
_cell_angle_alpha 105.20353
_cell_angle_beta 90.00000
_cell_angle_gamma 105.21069
_cell_volume 53.31246
_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 0.13911 0.27821 0.06959 1.00000
Ni2 Ni 0.86090 0.72180 0.43042 1.00000
Ni3 Ni 0.13910 0.27820 0.56958 1.00000
Ni4 Ni 0.86089 0.72179 0.93041 1.00000
B1 B 0.50001 0.00001 0.75001 1.00000
B2 B 0.49999 0.99999 0.24999 1.00000
Get direct link