LiTbF4
Alexandria ALEXAlex-ID: agm002157686 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
LiTbF4
2018-06-13 13:49:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002157686).
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
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# CIF generated by HEAS from Alexandria entry agm002157686
data_agm002157686
_cell_length_a 5.25178
_cell_length_b 5.25654
_cell_length_c 6.58659
_cell_angle_alpha 113.47188
_cell_angle_beta 113.45844
_cell_angle_gamma 90.09487
_cell_volume 150.20145
_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 0.37464 0.12441 0.74912 1.00000
Li2 Li 0.62536 0.87559 0.25088 1.00000
Tb1 Tb 0.12488 0.37493 0.24983 1.00000
Tb2 Tb 0.87512 0.62507 0.75017 1.00000
F1 F 0.45948 0.76176 0.58762 1.00000
F2 F 0.26199 0.62894 0.08786 1.00000
F3 F 0.87186 0.67426 0.41241 1.00000
F4 F 0.82582 0.95891 0.08782 1.00000
F5 F 0.54052 0.23824 0.41238 1.00000
F6 F 0.12814 0.32574 0.58759 1.00000
F7 F 0.17418 0.04109 0.91218 1.00000
F8 F 0.73801 0.37106 0.91214 1.00000
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