NaRe2F8
Alexandria ALEXAlex-ID: agm005997393 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_577_spg164
NaReF6 ReF6 Re
2023-10-16 13:28:24.385045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997393).
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 agm005997393
data_agm005997393
_cell_length_a 4.16583
_cell_length_b 6.97791
_cell_length_c 6.98097
_cell_angle_alpha 120.14411
_cell_angle_beta 89.86250
_cell_angle_gamma 90.17165
_cell_volume 175.48423
_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 0.00000 0.00000 0.99999 1.00000
F1 F 0.25185 0.66691 0.33322 1.00000
F2 F 0.74815 0.33309 0.66676 1.00000
F3 F 0.74815 0.82339 0.17379 1.00000
F4 F 0.25075 0.17405 0.35048 1.00000
F5 F 0.25051 0.64945 0.82325 1.00000
F6 F 0.25185 0.17662 0.82620 1.00000
F7 F 0.74925 0.82594 0.64950 1.00000
F8 F 0.74949 0.35055 0.17675 1.00000
Re1 Re 0.24826 0.33298 0.66684 1.00000
Re2 Re 0.75174 0.66702 0.33314 1.00000
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