NaRhF6
Alexandria ALEXAlex-ID: agm079749124 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1_spg225
NaRhF6
2025-02-04 13:54:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079749124).
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 agm079749124
data_agm079749124
_cell_length_a 5.32578
_cell_length_b 5.47843
_cell_length_c 5.30559
_cell_angle_alpha 107.46809
_cell_angle_beta 121.54568
_cell_angle_gamma 84.47558
_cell_volume 125.48903
_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
Na1 Na 0.42055 0.32883 0.88282 1.00000
Rh1 Rh 0.79824 0.80988 0.73138 1.00000
F1 F 0.07430 0.59330 0.95314 1.00000
F2 F 0.81630 0.03107 0.09500 1.00000
F3 F 0.77154 0.59229 0.36060 1.00000
F4 F 0.52117 0.02822 0.51511 1.00000
F5 F 0.48487 0.60241 0.65460 1.00000
F6 F 0.11303 0.01401 0.80735 1.00000
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