LiC12
Alexandria ALEXAlex-ID: agm005235224 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB12_11_spg63
LiC12
2022-12-12 23:37:11.746248
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235224).
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 agm005235224
data_agm005235224
_cell_length_a 4.30022
_cell_length_b 4.30022
_cell_length_c 15.55742
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.99528
_cell_volume 249.15530
_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 0.83330 0.83330 0.75000 1.00000
Li2 Li 0.16670 0.16670 0.25000 1.00000
C1 C 0.83342 0.16666 0.12798 1.00000
C2 C 0.83342 0.16666 0.37202 1.00000
C3 C 0.49995 0.16668 0.12794 1.00000
C4 C 0.49995 0.16668 0.37206 1.00000
C5 C 0.83334 0.16658 0.62798 1.00000
C6 C 0.83334 0.16658 0.87202 1.00000
C7 C 0.83332 0.50005 0.62794 1.00000
C8 C 0.83332 0.50005 0.87206 1.00000
C9 C 0.16666 0.83342 0.12798 1.00000
C10 C 0.16666 0.83342 0.37202 1.00000
C11 C 0.83343 0.83343 0.12794 1.00000
C12 C 0.83343 0.83343 0.37206 1.00000
C13 C 0.16658 0.83334 0.62798 1.00000
C14 C 0.16658 0.83334 0.87202 1.00000
C15 C 0.16657 0.16657 0.62794 1.00000
C16 C 0.16657 0.16657 0.87206 1.00000
C17 C 0.49992 0.49992 0.12798 1.00000
C18 C 0.49992 0.49992 0.37202 1.00000
C19 C 0.16668 0.49995 0.12794 1.00000
C20 C 0.16668 0.49995 0.37206 1.00000
C21 C 0.50008 0.50008 0.62798 1.00000
C22 C 0.50008 0.50008 0.87202 1.00000
C23 C 0.50005 0.83332 0.62794 1.00000
C24 C 0.50005 0.83332 0.87206 1.00000
