Li2ScF9
Alexandria ALEXAlex-ID: agm101428372 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_495_spg1
LiF3 ScF3
2025-05-19 23:32:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101428372).
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 agm101428372
data_agm101428372
_cell_length_a 3.21461
_cell_length_b 7.04923
_cell_length_c 7.98692
_cell_angle_alpha 67.28872
_cell_angle_beta 93.71097
_cell_angle_gamma 90.47294
_cell_volume 166.57700
_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 0.71517 0.38396 0.13722 1.00000
Li2 Li 0.12288 0.77032 0.64625 1.00000
Sc1 Sc 0.20278 0.99905 0.03225 1.00000
F1 F 0.93931 0.31237 0.40666 1.00000
F2 F 0.79561 0.44082 0.50397 1.00000
F3 F 0.19925 0.54695 0.01820 1.00000
F4 F 0.72281 0.83063 0.17096 1.00000
F5 F 0.62476 0.60144 0.66043 1.00000
F6 F 0.16999 0.85204 0.85475 1.00000
F7 F 0.68218 0.16615 0.89127 1.00000
F8 F 0.60212 0.90188 0.51415 1.00000
F9 F 0.22316 0.19440 0.16390 1.00000
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