CeFeB14
Alexandria ALEXAlex-ID: agm005755773 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CeB6 FeB2 B
2023-07-18 13:57:49.416493
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755773).
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 agm005755773
data_agm005755773
_cell_length_a 5.83016
_cell_length_b 7.35896
_cell_length_c 7.35896
_cell_angle_alpha 68.83546
_cell_angle_beta 66.66372
_cell_angle_gamma 66.66372
_cell_volume 258.26484
_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 0.25000 0.38179 0.11821 1.00000
Ce2 Ce 0.75000 0.61821 0.88179 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66631 0.36967 0.29771 1.00000
B2 B 0.33369 0.63033 0.70229 1.00000
B3 B 0.16631 0.79771 0.86967 1.00000
B4 B 0.83369 0.20229 0.13033 1.00000
B5 B 0.13573 0.23088 0.49765 1.00000
B6 B 0.86427 0.76912 0.50235 1.00000
B7 B 0.63573 0.99765 0.73088 1.00000
B8 B 0.36427 0.00235 0.26912 1.00000
B9 B 0.08820 0.07889 0.74471 1.00000
B10 B 0.91180 0.92111 0.25529 1.00000
B11 B 0.58820 0.24471 0.57889 1.00000
B12 B 0.41180 0.75529 0.42111 1.00000
B13 B 0.72041 0.60194 0.28109 1.00000
B14 B 0.60343 0.39806 0.71891 1.00000
B15 B 0.22041 0.78109 0.10194 1.00000
B16 B 0.10343 0.21891 0.89806 1.00000
B17 B 0.27959 0.39806 0.71891 1.00000
B18 B 0.39657 0.60194 0.28109 1.00000
B19 B 0.77959 0.21891 0.89806 1.00000
B20 B 0.89657 0.78109 0.10194 1.00000
B21 B 0.32810 0.96866 0.87314 1.00000
B22 B 0.16990 0.03134 0.12686 1.00000
B23 B 0.82810 0.37314 0.46866 1.00000
B24 B 0.66990 0.62686 0.53134 1.00000
B25 B 0.67190 0.03134 0.12686 1.00000
B26 B 0.83010 0.96866 0.87314 1.00000
B27 B 0.17190 0.62686 0.53134 1.00000
B28 B 0.33010 0.37314 0.46866 1.00000
