LiInB14
Alexandria ALEXAlex-ID: agm068626005 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_200_spg12
LiB3 B In
2024-08-14 10:55:14.188845
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068626005).
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 agm068626005
data_agm068626005
_cell_length_a 7.47545
_cell_length_b 7.47545
_cell_length_c 7.47545
_cell_angle_alpha 132.77438
_cell_angle_beta 112.99765
_cell_angle_gamma 85.99713
_cell_volume 270.19252
_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 0.88212 0.25000 0.63212 1.00000
Li2 Li 0.11788 0.75000 0.36788 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 0.50000 0.50000 0.50000 1.00000
B1 B 0.09994 0.77799 0.00530 1.00000
B2 B 0.49782 0.12054 0.37727 1.00000
B3 B 0.53091 0.81781 0.20058 1.00000
B4 B 0.46909 0.66967 0.28690 1.00000
B5 B 0.88277 0.68219 0.71310 1.00000
B6 B 0.11723 0.83033 0.79942 1.00000
B7 B 0.46909 0.18219 0.79942 1.00000
B8 B 0.53091 0.33033 0.71310 1.00000
B9 B 0.11723 0.31781 0.28690 1.00000
B10 B 0.88277 0.16967 0.20058 1.00000
B11 B 0.72732 0.72201 0.32195 1.00000
B12 B 0.27268 0.59464 0.99470 1.00000
B13 B 0.27268 0.27799 0.67805 1.00000
B14 B 0.90006 0.90536 0.67805 1.00000
B15 B 0.72732 0.40536 0.00530 1.00000
B16 B 0.75673 0.37946 0.37727 1.00000
B17 B 0.90006 0.22201 0.99470 1.00000
B18 B 0.09994 0.09464 0.32195 1.00000
B19 B 0.40359 0.57381 0.82978 1.00000
B20 B 0.59641 0.42619 0.17022 1.00000
B21 B 0.75598 0.92619 0.82978 1.00000
B22 B 0.24402 0.07381 0.17022 1.00000
B23 B 0.69454 0.66485 0.02969 1.00000
B24 B 0.30546 0.33515 0.97031 1.00000
B25 B 0.86484 0.83515 0.02969 1.00000
B26 B 0.13516 0.16485 0.97031 1.00000
B27 B 0.24327 0.62054 0.62273 1.00000
B28 B 0.50218 0.87946 0.62273 1.00000
