Li(BC)8
Alexandria ALEXAlex-ID: agm006172298 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8C8_11_spg166
LiB6C B4C C
2023-09-12 11:13:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006172298).
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 agm006172298
data_agm006172298
_cell_length_a 9.24175
_cell_length_b 7.59804
_cell_length_c 5.25929
_cell_angle_alpha 69.72375
_cell_angle_beta 55.29980
_cell_angle_gamma 34.68597
_cell_volume 166.84897
_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
C1 C 0.17209 0.59392 0.40623 1.00000
C2 C 0.28714 0.82467 0.67533 1.00000
C3 C 0.21286 0.67533 0.82467 1.00000
C4 C 0.32791 0.90607 0.09377 1.00000
C5 C 0.67234 0.09397 0.40603 1.00000
C6 C 0.82775 0.40623 0.59392 1.00000
C7 C 0.67225 0.09377 0.90607 1.00000
C8 C 0.82766 0.40603 0.09397 1.00000
B1 B 0.97461 0.21744 0.79144 1.00000
B2 B 0.49493 0.23934 0.26066 1.00000
B3 B 0.00507 0.26066 0.23934 1.00000
B4 B 0.52539 0.28256 0.70856 1.00000
B5 B 0.48359 0.70875 0.79125 1.00000
B6 B 0.01651 0.79144 0.21744 1.00000
B7 B 0.48349 0.70856 0.28256 1.00000
B8 B 0.01641 0.79125 0.70875 1.00000
Li1 Li 0.75000 0.75000 0.75000 1.00000
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