Li2ErLuF8
Alexandria ALEXAlex-ID: agm087984472 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_5_spg82
LiLuF4 LiErF4
2025-03-16 06:46:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm087984472).
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 agm087984472
data_agm087984472
_cell_length_a 6.44160
_cell_length_b 6.44160
_cell_length_c 6.44160
_cell_angle_alpha 132.49074
_cell_angle_beta 132.49074
_cell_angle_gamma 69.45506
_cell_volume 142.58342
_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 0.50000 0.00000 1.00000
Li2 Li 0.75000 0.25000 0.50000 1.00000
Er1 Er 0.25000 0.75000 0.50000 1.00000
Lu1 Lu 0.00000 0.00000 0.00000 1.00000
F1 F 0.59198 0.13484 0.88735 1.00000
F2 F 0.86516 0.75251 0.45714 1.00000
F3 F 0.24749 0.70463 0.11265 1.00000
F4 F 0.29537 0.40802 0.54286 1.00000
F5 F 0.99900 0.04756 0.38156 1.00000
F6 F 0.95244 0.33400 0.95144 1.00000
F7 F 0.66600 0.61744 0.61844 1.00000
F8 F 0.38256 0.00100 0.04856 1.00000
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