Li2TlGaF8
Alexandria ALEXAlex-ID: agm084454522 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_340_spg216
LiTlF4 LiGaF4
2025-03-01 07:24:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm084454522).
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 agm084454522
data_agm084454522
_cell_length_a 5.80155
_cell_length_b 5.80155
_cell_length_c 5.80155
_cell_angle_alpha 113.43690
_cell_angle_beta 109.28584
_cell_angle_gamma 105.78212
_cell_volume 149.64358
_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 0.00000 0.92568 0.92568 1.00000
Li2 Li 0.50000 0.17941 0.67941 1.00000
Tl1 Tl 0.00000 0.40131 0.40131 1.00000
Ga1 Ga 0.50000 0.65902 0.15902 1.00000
F1 F 0.20327 0.67638 0.87965 1.00000
F2 F 0.32115 0.71370 0.39255 1.00000
F3 F 0.79673 0.67638 0.47310 1.00000
F4 F 0.67885 0.07140 0.39255 1.00000
F5 F 0.21135 0.15069 0.36204 1.00000
F6 F 0.31410 0.26098 0.94688 1.00000
F7 F 0.78865 0.15069 0.93935 1.00000
F8 F 0.68590 0.63278 0.94688 1.00000
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