LiTmF4
Alexandria ALEXAlex-ID: agm002157693 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_7_spg141
LiTmF4
2018-06-13 14:49:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002157693).
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 agm002157693
data_agm002157693
_cell_length_a 5.18853
_cell_length_b 5.19505
_cell_length_c 6.44620
_cell_angle_alpha 113.69359
_cell_angle_beta 113.66601
_cell_angle_gamma 90.14990
_cell_volume 142.91755
_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
Tm1 Tm 0.12486 0.37487 0.24974 1.00000
Tm2 Tm 0.87514 0.62513 0.75026 1.00000
Li1 Li 0.37428 0.12424 0.74850 1.00000
Li2 Li 0.62572 0.87576 0.25150 1.00000
F1 F 0.46310 0.75861 0.58694 1.00000
F2 F 0.25889 0.62507 0.08723 1.00000
F3 F 0.87624 0.67171 0.41309 1.00000
F4 F 0.82846 0.96209 0.08728 1.00000
F5 F 0.53690 0.24139 0.41306 1.00000
F6 F 0.12376 0.32829 0.58691 1.00000
F7 F 0.17154 0.03791 0.91272 1.00000
F8 F 0.74111 0.37493 0.91277 1.00000
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