Li2AgBiF6
Alexandria ALEXAlex-ID: agm004972025 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
Ag5BiF8 LiBiF4 LiF
2022-07-25 07:59:11.964632
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004972025).
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 agm004972025
data_agm004972025
_cell_length_a 5.63594
_cell_length_b 5.63504
_cell_length_c 5.70276
_cell_angle_alpha 89.99843
_cell_angle_beta 119.62149
_cell_angle_gamma 120.00598
_cell_volume 128.78389
_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 0.57670 0.78786 0.35045 1.00000
Li2 Li 0.60391 0.30141 0.89128 1.00000
Ag1 Ag 0.05914 0.52906 0.57417 1.00000
Bi1 Bi 0.02553 0.01224 0.02366 1.00000
F1 F 0.56231 0.97389 0.67675 1.00000
F2 F 0.50664 0.05280 0.14427 1.00000
F3 F 0.70538 0.65179 0.14415 1.00000
F4 F 0.10553 0.45284 0.14411 1.00000
F5 F 0.71685 0.58723 0.67681 1.00000
F6 F 0.10360 0.12853 0.67687 1.00000
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