YIn2F6
Alexandria ALEXAlex-ID: agm097765576 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1669_spg12
Y3InF10 InF2 In
2025-04-06 23:16:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097765576).
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 agm097765576
data_agm097765576
_cell_length_a 4.43094
_cell_length_b 4.43110
_cell_length_c 9.63795
_cell_angle_alpha 88.84027
_cell_angle_beta 91.13325
_cell_angle_gamma 90.23729
_cell_volume 189.15350
_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
Y1 Y 0.66390 0.33563 0.73308 1.00000
In1 In 0.67128 0.32928 0.18725 1.00000
In2 In 0.23039 0.76989 0.42976 1.00000
F1 F 0.66764 0.33198 0.95984 1.00000
F2 F 0.62644 0.37341 0.50703 1.00000
F3 F 0.66069 0.83778 0.72839 1.00000
F4 F 0.17051 0.35325 0.23809 1.00000
F5 F 0.16177 0.33875 0.72839 1.00000
F6 F 0.64738 0.83004 0.23817 1.00000
Get direct link