Fe2NiB
Alexandria ALEXAlex-ID: agm005226533 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_297_spg82
Fe2B Ni3B FeNi3
2023-05-07 00:43:44.529095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226533).
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 agm005226533
data_agm005226533
_cell_length_a 6.38909
_cell_length_b 6.38909
_cell_length_c 6.38909
_cell_angle_alpha 96.21251
_cell_angle_beta 96.21251
_cell_angle_gamma 141.58835
_cell_volume 153.02201
_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
Fe1 Fe 0.62722 0.01794 0.66624 1.00000
Fe2 Fe 0.35170 0.96098 0.33376 1.00000
Fe3 Fe 0.98206 0.64830 0.60928 1.00000
Fe4 Fe 0.03902 0.37278 0.39072 1.00000
Fe5 Fe 0.16564 0.35703 0.02583 1.00000
Fe6 Fe 0.33120 0.13981 0.97417 1.00000
Fe7 Fe 0.64297 0.66880 0.80861 1.00000
Fe8 Fe 0.86019 0.83436 0.19139 1.00000
Ni1 Ni 0.56598 0.95862 0.04062 1.00000
Ni2 Ni 0.91801 0.52537 0.95938 1.00000
Ni3 Ni 0.04138 0.08199 0.60736 1.00000
Ni4 Ni 0.47463 0.43402 0.39264 1.00000
B1 B 0.19479 0.52905 0.74745 1.00000
B2 B 0.78160 0.44734 0.25255 1.00000
B3 B 0.47095 0.21840 0.66574 1.00000
B4 B 0.55266 0.80521 0.33426 1.00000
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