LiCeB14
Alexandria ALEXAlex-ID: agm005754071 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
CeB6 LiB3 B
2023-07-18 21:45:01.891862
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754071).
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 agm005754071
data_agm005754071
_cell_length_a 5.85947
_cell_length_b 7.30473
_cell_length_c 7.30473
_cell_angle_alpha 69.22605
_cell_angle_beta 66.35471
_cell_angle_gamma 66.35471
_cell_volume 255.26760
_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
Li1 Li 0.50000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.50000 1.00000
Ce1 Ce 0.25000 0.38359 0.11641 1.00000
Ce2 Ce 0.75000 0.61641 0.88359 1.00000
B1 B 0.66588 0.36470 0.30354 1.00000
B2 B 0.33412 0.63530 0.69646 1.00000
B3 B 0.16588 0.80354 0.86470 1.00000
B4 B 0.83412 0.19646 0.13530 1.00000
B5 B 0.14950 0.21966 0.48134 1.00000
B6 B 0.85050 0.78034 0.51866 1.00000
B7 B 0.64950 0.98134 0.71966 1.00000
B8 B 0.35050 0.01866 0.28034 1.00000
B9 B 0.08957 0.08118 0.73968 1.00000
B10 B 0.91043 0.91882 0.26032 1.00000
B11 B 0.58957 0.23968 0.58118 1.00000
B12 B 0.41043 0.76032 0.41882 1.00000
B13 B 0.71666 0.60298 0.28327 1.00000
B14 B 0.60292 0.39702 0.71673 1.00000
B15 B 0.21666 0.78327 0.10298 1.00000
B16 B 0.10292 0.21673 0.89702 1.00000
B17 B 0.28334 0.39702 0.71673 1.00000
B18 B 0.39708 0.60298 0.28327 1.00000
B19 B 0.78334 0.21673 0.89702 1.00000
B20 B 0.89708 0.78327 0.10298 1.00000
B21 B 0.32992 0.96712 0.87374 1.00000
B22 B 0.17077 0.03288 0.12626 1.00000
B23 B 0.82992 0.37374 0.46712 1.00000
B24 B 0.67077 0.62626 0.53288 1.00000
B25 B 0.67008 0.03288 0.12626 1.00000
B26 B 0.82923 0.96712 0.87374 1.00000
B27 B 0.17008 0.62626 0.53288 1.00000
B28 B 0.32923 0.37374 0.46712 1.00000
