Fe2BW
Alexandria ALEXAlex-ID: agm005772829 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_30_spg63
FeBW Fe21(B3W)2 Fe2W
2023-07-14 15:13:32.604314
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772829).
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 agm005772829
data_agm005772829
_cell_length_a 3.02508
_cell_length_b 4.52133
_cell_length_c 6.54440
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.55160
_cell_volume 84.34905
_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 0.35577 0.71123 0.55595 1.00000
Fe2 Fe 0.64423 0.28877 0.44405 1.00000
Fe3 Fe 0.35577 0.71123 0.94405 1.00000
Fe4 Fe 0.64423 0.28877 0.05595 1.00000
B1 B 0.77014 0.54019 0.75000 1.00000
B2 B 0.22986 0.45981 0.25000 1.00000
W1 W 0.94047 0.88057 0.25000 1.00000
W2 W 0.05953 0.11943 0.75000 1.00000
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