In2Ag5F12
Alexandria ALEXAlex-ID: agm005646101 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_123_spg12
InAg6F12 InAg3F6 InF3
2023-06-23 05:56:50.223064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646101).
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 agm005646101
data_agm005646101
_cell_length_a 6.81350
_cell_length_b 7.36102
_cell_length_c 7.36102
_cell_angle_alpha 65.25089
_cell_angle_beta 63.66159
_cell_angle_gamma 63.66159
_cell_volume 284.98291
_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
In1 In 0.00000 0.75290 0.24710 1.00000
In2 In 1.00000 0.24710 0.75290 1.00000
Ag1 Ag 0.97557 0.26851 0.26851 1.00000
Ag2 Ag 0.51763 0.30702 0.30702 1.00000
Ag3 Ag 0.50000 0.00000 0.00000 1.00000
Ag4 Ag 0.48237 0.69298 0.69298 1.00000
Ag5 Ag 0.02443 0.73149 0.73149 1.00000
F1 F 0.17678 0.89297 0.89297 1.00000
F2 F 0.23494 0.11980 0.49801 1.00000
F3 F 0.23494 0.49801 0.11980 1.00000
F4 F 0.78171 0.11317 0.74160 1.00000
F5 F 0.78171 0.74160 0.11317 1.00000
F6 F 0.81632 0.49031 0.49031 1.00000
F7 F 0.18368 0.50969 0.50969 1.00000
F8 F 0.21829 0.88683 0.25840 1.00000
F9 F 0.21829 0.25840 0.88683 1.00000
F10 F 0.76506 0.88020 0.50199 1.00000
F11 F 0.76506 0.50199 0.88020 1.00000
F12 F 0.82322 0.10703 0.10703 1.00000
Get direct link