Ce2Fe3B12W
Alexandria ALEXAlex-ID: agm004499587 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_111_spg166
Fe(BW)2 Ce(FeB3)2 B2W CeB4
2022-06-18 21:59:12.047272
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004499587).
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 agm004499587
data_agm004499587
_cell_length_a 8.37077
_cell_length_b 8.37077
_cell_length_c 8.37077
_cell_angle_alpha 37.94838
_cell_angle_beta 37.94838
_cell_angle_gamma 37.94838
_cell_volume 199.08632
_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
Ce1 Ce 0.64083 0.64083 0.64083 1.00000
Ce2 Ce 0.35917 0.35917 0.35917 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
Fe2 Fe 0.00000 0.50000 0.00000 1.00000
Fe3 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.34085 0.34085 0.02376 1.00000
B2 B 0.95367 0.95367 0.32791 1.00000
B3 B 0.32791 0.95367 0.95367 1.00000
B4 B 0.02376 0.34085 0.34085 1.00000
B5 B 0.95367 0.32791 0.95367 1.00000
B6 B 0.34085 0.02376 0.34085 1.00000
B7 B 0.65915 0.65915 0.97624 1.00000
B8 B 0.04633 0.04633 0.67209 1.00000
B9 B 0.67209 0.04633 0.04633 1.00000
B10 B 0.97624 0.65915 0.65915 1.00000
B11 B 0.04633 0.67209 0.04633 1.00000
B12 B 0.65915 0.97624 0.65915 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
Get direct link