RbNbF4
Alexandria ALEXAlex-ID: agm005768331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1235_spg12
Rb2Nb3F9 Rb2NbF7
2023-08-05 01:32:31.195962
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005768331).
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 agm005768331
data_agm005768331
_cell_length_a 5.08708
_cell_length_b 7.48755
_cell_length_c 7.48757
_cell_angle_alpha 57.18288
_cell_angle_beta 112.07435
_cell_angle_gamma 112.07141
_cell_volume 216.62342
_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 0.98370 0.82188 0.82185 1.00000
Rb2 Rb 0.01630 0.17812 0.17815 1.00000
Nb1 Nb 0.27765 0.53529 0.53529 1.00000
Nb2 Nb 0.72235 0.46471 0.46471 1.00000
F1 F 0.34905 0.69798 0.69794 1.00000
F2 F 0.33128 0.22523 0.57455 1.00000
F3 F 0.00003 0.26088 0.73915 1.00000
F4 F 0.66875 0.42548 0.77477 1.00000
F5 F 0.65095 0.30202 0.30206 1.00000
F6 F 0.66872 0.77477 0.42545 1.00000
F7 F 0.99997 0.73912 0.26085 1.00000
F8 F 0.33125 0.57452 0.22523 1.00000
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