Nb2FeB2Os5
Alexandria ALEXAlex-ID: agm010823918 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_6_spg127
NbB NbFeB Os
2024-09-25 14:23:39.362630
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010823918).
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 agm010823918
data_agm010823918
_cell_length_a 9.39585
_cell_length_b 9.39585
_cell_length_c 2.97602
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 262.72910
_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
Nb1 Nb 0.82253 0.32253 0.00000 1.00000
Nb2 Nb 0.17747 0.67747 0.00000 1.00000
Nb3 Nb 0.32253 0.17747 0.00000 1.00000
Nb4 Nb 0.67747 0.82253 0.00000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.50000 0.50000 0.00000 1.00000
B1 B 0.37564 0.87564 0.00000 1.00000
B2 B 0.62436 0.12436 0.00000 1.00000
B3 B 0.87564 0.62436 0.00000 1.00000
B4 B 0.12436 0.37564 0.00000 1.00000
Os1 Os 0.92973 0.78670 0.50000 1.00000
Os2 Os 0.07027 0.21330 0.50000 1.00000
Os3 Os 0.42973 0.71330 0.50000 1.00000
Os4 Os 0.57027 0.28670 0.50000 1.00000
Os5 Os 0.21330 0.92973 0.50000 1.00000
Os6 Os 0.78670 0.07027 0.50000 1.00000
Os7 Os 0.28670 0.42973 0.50000 1.00000
Os8 Os 0.71330 0.57027 0.50000 1.00000
Os9 Os 0.00000 0.50000 0.50000 1.00000
Os10 Os 0.50000 0.00000 0.50000 1.00000
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