Rb(NF3)2
Alexandria ALEXAlex-ID: agm005687716 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1514_spg15
RbN4F NF3 RbF
2023-07-09 02:15:20.816494
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687716).
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 agm005687716
data_agm005687716
_cell_length_a 7.61258
_cell_length_b 8.38499
_cell_length_c 7.61258
_cell_angle_alpha 64.44975
_cell_angle_beta 79.03148
_cell_angle_gamma 64.44973
_cell_volume 395.52352
_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 0.89423 0.75000 0.10577 1.00000
Rb2 Rb 0.10577 0.25000 0.89423 1.00000
N1 N 0.37961 0.72204 0.28668 1.00000
N2 N 0.71332 0.77796 0.62039 1.00000
N3 N 0.62039 0.27796 0.71332 1.00000
N4 N 0.28668 0.22204 0.37961 1.00000
F1 F 0.25500 0.36743 0.44183 1.00000
F2 F 0.55817 0.13257 0.74500 1.00000
F3 F 0.74500 0.63257 0.55817 1.00000
F4 F 0.44183 0.86743 0.25500 1.00000
F5 F 0.17293 0.12961 0.50847 1.00000
F6 F 0.49153 0.37039 0.82707 1.00000
F7 F 0.82707 0.87039 0.49153 1.00000
F8 F 0.50847 0.62961 0.17293 1.00000
F9 F 0.16537 0.87295 0.12179 1.00000
F10 F 0.87821 0.62705 0.83463 1.00000
F11 F 0.83463 0.12705 0.87821 1.00000
F12 F 0.12179 0.37295 0.16537 1.00000
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