RbNF5
Alexandria ALEXAlex-ID: agm005758909 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1128_spg1
RbF3 NF3 RbF
2023-07-19 00:49:49.462961
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758909).
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 agm005758909
data_agm005758909
_cell_length_a 13.33518
_cell_length_b 13.28452
_cell_length_c 10.46440
_cell_angle_alpha 34.78802
_cell_angle_beta 157.51995
_cell_angle_gamma 156.97438
_cell_volume 271.93906
_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 0.14370 0.68318 0.85943 1.00000
Rb2 Rb 0.38777 0.27825 0.68744 1.00000
N1 N 0.93307 0.92474 0.84023 1.00000
N2 N 0.23406 0.53919 0.75635 1.00000
F1 F 0.41306 0.14476 0.59205 1.00000
F2 F 0.43859 0.77981 0.80225 1.00000
F3 F 0.52629 0.55840 0.05847 1.00000
F4 F 0.80731 0.24196 0.07585 1.00000
F5 F 0.93931 0.10999 0.62280 1.00000
F6 F 0.52755 0.69591 0.61985 1.00000
F7 F 0.75584 0.73357 0.51446 1.00000
F8 F 0.79530 0.44998 0.21909 1.00000
F9 F 0.02717 0.36465 0.79714 1.00000
F10 F 0.07097 0.99560 0.05460 1.00000
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