Rb3IrF7
Alexandria ALEXAlex-ID: agm005955367 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_11_spg8
Rb2IrF6 RbF
2023-08-11 23:42:43.306632
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005955367).
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 agm005955367
data_agm005955367
_cell_length_a 5.94494
_cell_length_b 5.94494
_cell_length_c 7.15409
_cell_angle_alpha 73.09223
_cell_angle_beta 73.09220
_cell_angle_gamma 90.27665
_cell_volume 230.34929
_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 0.81208 0.27858 0.47680 1.00000
Rb2 Rb 0.51271 0.51271 0.00985 1.00000
Rb3 Rb 0.27858 0.81208 0.47680 1.00000
Ir1 Ir 0.01561 0.01561 0.98100 1.00000
F1 F 0.14541 0.14541 0.15827 1.00000
F2 F 0.69997 0.03229 0.16255 1.00000
F3 F 0.98939 0.33404 0.80892 1.00000
F4 F 0.03229 0.69997 0.16255 1.00000
F5 F 0.42010 0.42010 0.40191 1.00000
F6 F 0.33404 0.98939 0.80892 1.00000
F7 F 0.88483 0.88483 0.80244 1.00000
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