FeSiB
Alexandria ALEXAlex-ID: agm002020347 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3561_spg2
FeB2 FeSi2
2021-09-28 10:26:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002020347).
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
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# CIF generated by HEAS from Alexandria entry agm002020347
data_agm002020347
_cell_length_a 3.90570
_cell_length_b 3.92395
_cell_length_c 4.46986
_cell_angle_alpha 98.84883
_cell_angle_beta 91.95585
_cell_angle_gamma 114.84436
_cell_volume 61.05056
_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
Si1 Si 0.08127 0.80902 0.66603 1.00000
Si2 Si 0.91873 0.19098 0.33397 1.00000
B1 B 0.30500 0.29903 0.02156 1.00000
B2 B 0.69500 0.70097 0.97844 1.00000
Fe1 Fe 0.73430 0.19853 0.81399 1.00000
Fe2 Fe 0.26570 0.80147 0.18601 1.00000
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