LiTbB14
Alexandria ALEXAlex-ID: agm005754123 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
LiTbB14
2023-07-18 21:46:07.731601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754123).
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 agm005754123
data_agm005754123
_cell_length_a 5.87565
_cell_length_b 7.27161
_cell_length_c 7.27161
_cell_angle_alpha 69.12016
_cell_angle_beta 66.17070
_cell_angle_gamma 66.17070
_cell_volume 252.94768
_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
Tb1 Tb 0.25000 0.37886 0.12114 1.00000
Tb2 Tb 0.75000 0.62114 0.87886 1.00000
B1 B 0.66583 0.36126 0.30708 1.00000
B2 B 0.33417 0.63874 0.69292 1.00000
B3 B 0.16583 0.80708 0.86126 1.00000
B4 B 0.83417 0.19292 0.13874 1.00000
B5 B 0.14875 0.22227 0.48022 1.00000
B6 B 0.85125 0.77773 0.51978 1.00000
B7 B 0.64875 0.98022 0.72227 1.00000
B8 B 0.35125 0.01978 0.27773 1.00000
B9 B 0.08873 0.08423 0.73831 1.00000
B10 B 0.91127 0.91577 0.26169 1.00000
B11 B 0.58873 0.23831 0.58423 1.00000
B12 B 0.41127 0.76169 0.41577 1.00000
B13 B 0.71712 0.60119 0.28120 1.00000
B14 B 0.59950 0.39881 0.71880 1.00000
B15 B 0.21712 0.78120 0.10119 1.00000
B16 B 0.09950 0.21880 0.89881 1.00000
B17 B 0.28288 0.39881 0.71880 1.00000
B18 B 0.40050 0.60119 0.28120 1.00000
B19 B 0.78288 0.21880 0.89881 1.00000
B20 B 0.90050 0.78120 0.10119 1.00000
B21 B 0.32977 0.96684 0.87352 1.00000
B22 B 0.17012 0.03316 0.12648 1.00000
B23 B 0.82977 0.37352 0.46684 1.00000
B24 B 0.67012 0.62648 0.53316 1.00000
B25 B 0.67023 0.03316 0.12648 1.00000
B26 B 0.82988 0.96684 0.87352 1.00000
B27 B 0.17023 0.62648 0.53316 1.00000
B28 B 0.32988 0.37352 0.46684 1.00000
