RbSeF3
Alexandria ALEXAlex-ID: agm005751804 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5228_spg2
Rb2SeF6 Se
2023-07-03 21:42:45.537232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751804).
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
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# CIF generated by HEAS from Alexandria entry agm005751804
data_agm005751804
_cell_length_a 4.44508
_cell_length_b 6.58369
_cell_length_c 8.60917
_cell_angle_alpha 63.57540
_cell_angle_beta 75.81304
_cell_angle_gamma 91.83830
_cell_volume 215.83283
_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 0.85462 0.63412 0.40849 1.00000
Rb2 Rb 0.51726 0.38470 0.03677 1.00000
Se1 Se 0.37322 0.02287 0.57740 1.00000
Se2 Se 0.99866 0.99595 0.86786 1.00000
F1 F 0.99854 0.06576 0.06614 1.00000
F2 F 0.92950 0.30723 0.74227 1.00000
F3 F 0.44238 0.71158 0.70300 1.00000
F4 F 0.32709 0.34172 0.41213 1.00000
F5 F 0.04478 0.67709 0.03314 1.00000
F6 F 0.37335 0.95307 0.37911 1.00000
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