NaLiB14
Alexandria ALEXAlex-ID: agm005753974 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
Na3B20 LiB3 NaB15
2023-07-18 21:48:02.972853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753974).
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 agm005753974
data_agm005753974
_cell_length_a 5.85916
_cell_length_b 7.21033
_cell_length_c 7.21033
_cell_angle_alpha 68.83483
_cell_angle_beta 66.02718
_cell_angle_gamma 66.02719
_cell_volume 247.22028
_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
Na1 Na 0.25000 0.41167 0.08833 1.00000
Na2 Na 0.75000 0.58833 0.91167 1.00000
Li1 Li 0.50000 0.00000 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.50000 1.00000
B1 B 0.66726 0.36132 0.30415 1.00000
B2 B 0.33274 0.63868 0.69585 1.00000
B3 B 0.16726 0.80415 0.86132 1.00000
B4 B 0.83274 0.19585 0.13868 1.00000
B5 B 0.16233 0.22170 0.45363 1.00000
B6 B 0.83767 0.77830 0.54637 1.00000
B7 B 0.66233 0.95363 0.72170 1.00000
B8 B 0.33767 0.04637 0.27830 1.00000
B9 B 0.08605 0.08415 0.74374 1.00000
B10 B 0.91395 0.91585 0.25626 1.00000
B11 B 0.58605 0.24374 0.58415 1.00000
B12 B 0.41395 0.75626 0.41585 1.00000
B13 B 0.72050 0.60267 0.27549 1.00000
B14 B 0.59866 0.39733 0.72451 1.00000
B15 B 0.22050 0.77549 0.10267 1.00000
B16 B 0.09866 0.22451 0.89733 1.00000
B17 B 0.27950 0.39733 0.72451 1.00000
B18 B 0.40134 0.60267 0.27549 1.00000
B19 B 0.77950 0.22451 0.89733 1.00000
B20 B 0.90134 0.77549 0.10267 1.00000
B21 B 0.32697 0.96663 0.87381 1.00000
B22 B 0.16742 0.03337 0.12619 1.00000
B23 B 0.82697 0.37381 0.46663 1.00000
B24 B 0.66742 0.62619 0.53337 1.00000
B25 B 0.67303 0.03337 0.12619 1.00000
B26 B 0.83258 0.96663 0.87381 1.00000
B27 B 0.17303 0.62619 0.53337 1.00000
B28 B 0.33258 0.37381 0.46663 1.00000
