LiCd4F8
Alexandria ALEXAlex-ID: agm097292000 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_175_spg12
CdF2 Cd LiF
2025-06-16 14:10:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097292000).
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 agm097292000
data_agm097292000
_cell_length_a 7.14392
_cell_length_b 7.14392
_cell_length_c 5.00006
_cell_angle_alpha 89.93572
_cell_angle_beta 90.06428
_cell_angle_gamma 119.99233
_cell_volume 221.01002
_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 0.15341 0.84659 0.39969 1.00000
Cd1 Cd 0.98153 0.01847 0.96904 1.00000
Cd2 Cd 0.98149 0.50310 0.96949 1.00000
Cd3 Cd 0.49690 0.01851 0.96949 1.00000
Cd4 Cd 0.48663 0.51337 0.09092 1.00000
F1 F 0.87136 0.70562 0.23144 1.00000
F2 F 0.82014 0.17986 0.19785 1.00000
F3 F 0.29440 0.70560 0.23165 1.00000
F4 F 0.29438 0.12864 0.23144 1.00000
F5 F 0.63961 0.81964 0.81369 1.00000
F6 F 0.63960 0.36040 0.81381 1.00000
F7 F 0.15325 0.84675 0.76287 1.00000
F8 F 0.18036 0.36039 0.81369 1.00000
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