Rb3In2F7
Alexandria ALEXAlex-ID: agm003350331 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_4_spg65
Rb2InF5 Rb3InF6 In
2022-02-02 21:56:53.221991
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003350331).
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 agm003350331
data_agm003350331
_cell_length_a 4.51412
_cell_length_b 4.66012
_cell_length_c 12.03420
_cell_angle_alpha 101.16410
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 248.36483
_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
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.50000 0.68561 0.37122 1.00000
Rb3 Rb 0.50000 0.31439 0.62878 1.00000
In1 In 0.00000 0.90036 0.80073 1.00000
In2 In 0.00000 0.09964 0.19927 1.00000
F1 F 0.00000 0.40010 0.80020 1.00000
F2 F 0.00000 0.80576 0.61152 1.00000
F3 F 0.00000 0.00000 0.00000 1.00000
F4 F 0.00000 0.59990 0.19980 1.00000
F5 F 0.50000 0.10273 0.20547 1.00000
F6 F 0.50000 0.89727 0.79453 1.00000
F7 F 0.00000 0.19424 0.38848 1.00000
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