CeReB14
Alexandria ALEXAlex-ID: agm005754989 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CeB6 ReB2 B
2023-07-20 23:47:00.364932
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754989).
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 agm005754989
data_agm005754989
_cell_length_a 5.87153
_cell_length_b 7.44917
_cell_length_c 7.44917
_cell_angle_alpha 67.37131
_cell_angle_beta 66.78975
_cell_angle_gamma 66.78976
_cell_volume 264.86001
_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 0.37350 0.12650 1.00000
Ce2 Ce 0.75000 0.62650 0.87350 1.00000
Re1 Re 0.50000 0.00000 0.50000 1.00000
Re2 Re 0.00000 0.00000 0.50000 1.00000
B1 B 0.66709 0.37100 0.29482 1.00000
B2 B 0.33291 0.62900 0.70518 1.00000
B3 B 0.16709 0.79482 0.87100 1.00000
B4 B 0.83291 0.20518 0.12900 1.00000
B5 B 0.12077 0.24753 0.51092 1.00000
B6 B 0.87923 0.75247 0.48908 1.00000
B7 B 0.62077 0.01092 0.74753 1.00000
B8 B 0.37923 0.98908 0.25247 1.00000
B9 B 0.08226 0.08732 0.74815 1.00000
B10 B 0.91774 0.91268 0.25185 1.00000
B11 B 0.58226 0.24815 0.58732 1.00000
B12 B 0.41774 0.75185 0.41268 1.00000
B13 B 0.72553 0.59811 0.27643 1.00000
B14 B 0.60008 0.40189 0.72357 1.00000
B15 B 0.22553 0.77643 0.09811 1.00000
B16 B 0.10008 0.22357 0.90189 1.00000
B17 B 0.27447 0.40189 0.72357 1.00000
B18 B 0.39992 0.59811 0.27643 1.00000
B19 B 0.77447 0.22357 0.90189 1.00000
B20 B 0.89992 0.77643 0.09811 1.00000
B21 B 0.32355 0.97185 0.87240 1.00000
B22 B 0.16781 0.02815 0.12760 1.00000
B23 B 0.82355 0.37240 0.47185 1.00000
B24 B 0.66781 0.62760 0.52815 1.00000
B25 B 0.67645 0.02815 0.12760 1.00000
B26 B 0.83219 0.97185 0.87240 1.00000
B27 B 0.17645 0.62760 0.52815 1.00000
B28 B 0.33219 0.37240 0.47185 1.00000
