Li2CdFeF6
Alexandria ALEXAlex-ID: agm004956635 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
CdF2 LiF FeF2
2022-07-25 08:27:49.725064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004956635).
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 agm004956635
data_agm004956635
_cell_length_a 5.37773
_cell_length_b 5.32457
_cell_length_c 5.78837
_cell_angle_alpha 61.56472
_cell_angle_beta 61.60210
_cell_angle_gamma 60.13001
_cell_volume 120.04906
_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 0.53068 0.51788 0.42202 1.00000
Li2 Li 0.00645 0.02271 0.94038 1.00000
Cd1 Cd 0.80931 0.80644 0.57236 1.00000
Fe1 Fe 0.31623 0.31336 0.05224 1.00000
F1 F 0.61041 0.23794 0.24495 1.00000
F2 F 0.24801 0.90972 0.25284 1.00000
F3 F 0.90638 0.61368 0.24478 1.00000
F4 F 0.37448 0.72277 0.77307 1.00000
F5 F 0.72738 0.13869 0.75215 1.00000
F6 F 0.13228 0.37841 0.76040 1.00000
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