LiSmB14
Alexandria ALEXAlex-ID: agm005754054 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
LiSmB14
2023-07-18 21:46:07.662260
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754054).
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 agm005754054
data_agm005754054
_cell_length_a 5.88216
_cell_length_b 7.31040
_cell_length_c 7.31040
_cell_angle_alpha 69.12142
_cell_angle_beta 66.27703
_cell_angle_gamma 66.27703
_cell_volume 256.27904
_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
Sm1 Sm 0.25000 0.37946 0.12054 1.00000
Sm2 Sm 0.75000 0.62054 0.87946 1.00000
B1 B 0.66554 0.36152 0.30739 1.00000
B2 B 0.33446 0.63848 0.69261 1.00000
B3 B 0.16554 0.80739 0.86152 1.00000
B4 B 0.83446 0.19261 0.13848 1.00000
B5 B 0.14756 0.22201 0.48287 1.00000
B6 B 0.85244 0.77799 0.51713 1.00000
B7 B 0.64756 0.98287 0.72201 1.00000
B8 B 0.35244 0.01713 0.27799 1.00000
B9 B 0.08863 0.08346 0.73929 1.00000
B10 B 0.91137 0.91654 0.26071 1.00000
B11 B 0.58863 0.23929 0.58346 1.00000
B12 B 0.41137 0.76071 0.41654 1.00000
B13 B 0.71606 0.60182 0.28265 1.00000
B14 B 0.60053 0.39818 0.71735 1.00000
B15 B 0.21606 0.78265 0.10182 1.00000
B16 B 0.10053 0.21735 0.89818 1.00000
B17 B 0.28394 0.39818 0.71735 1.00000
B18 B 0.39947 0.60182 0.28265 1.00000
B19 B 0.78394 0.21735 0.89818 1.00000
B20 B 0.89947 0.78265 0.10182 1.00000
B21 B 0.32906 0.96756 0.87376 1.00000
B22 B 0.17038 0.03244 0.12624 1.00000
B23 B 0.82906 0.37376 0.46756 1.00000
B24 B 0.67038 0.62624 0.53244 1.00000
B25 B 0.67094 0.03244 0.12624 1.00000
B26 B 0.82962 0.96756 0.87376 1.00000
B27 B 0.17094 0.62624 0.53244 1.00000
B28 B 0.32962 0.37376 0.46756 1.00000
