NaRhF4
Alexandria ALEXAlex-ID: agm002209783 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_52_spg15
Na3RhF6 RhF3
2018-07-18 21:28:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002209783).
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 agm002209783
data_agm002209783
_cell_length_a 5.44018
_cell_length_b 7.63424
_cell_length_c 7.63375
_cell_angle_alpha 38.13184
_cell_angle_beta 60.42128
_cell_angle_gamma 60.42293
_cell_volume 166.94625
_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 0.75002 0.20780 0.29212 1.00000
Na2 Na 0.24998 0.79219 0.70787 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
Rh2 Rh 0.49999 1.00000 0.00000 1.00000
F1 F 0.75125 0.61552 0.28250 1.00000
F2 F 0.25124 0.78254 0.11549 1.00000
F3 F 0.77092 0.95636 0.73676 1.00000
F4 F 0.27092 0.23687 0.45626 1.00000
F5 F 0.22909 0.04362 0.26322 1.00000
F6 F 0.72907 0.76313 0.54373 1.00000
F7 F 0.24876 0.38447 0.71749 1.00000
F8 F 0.74876 0.21745 0.88450 1.00000
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