ReH2F6
Alexandria ALEXAlex-ID: agm005759229 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1208_spg14
HF Re ReF6
2023-07-07 08:25:06.207732
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759229).
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 agm005759229
data_agm005759229
_cell_length_a 5.14070
_cell_length_b 5.56379
_cell_length_c 8.21818
_cell_angle_alpha 90.00001
_cell_angle_beta 99.94450
_cell_angle_gamma 89.99998
_cell_volume 231.52294
_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
Re1 Re 0.50000 0.50000 0.00000 1.00000
Re2 Re 0.00000 0.00000 0.50000 1.00000
H1 H 0.12084 0.84728 0.82343 1.00000
H2 H 0.37916 0.34728 0.67657 1.00000
H3 H 0.62084 0.65272 0.32343 1.00000
H4 H 0.87916 0.15272 0.17657 1.00000
F1 F 0.05725 0.09529 0.27005 1.00000
F2 F 0.18362 0.30639 0.58435 1.00000
F3 F 0.17310 0.32138 0.94921 1.00000
F4 F 0.32690 0.82138 0.55079 1.00000
F5 F 0.31638 0.80639 0.91565 1.00000
F6 F 0.44275 0.59529 0.22995 1.00000
F7 F 0.94275 0.90471 0.72995 1.00000
F8 F 0.81638 0.69361 0.41565 1.00000
F9 F 0.82690 0.67862 0.05079 1.00000
F10 F 0.67310 0.17862 0.44921 1.00000
F11 F 0.68362 0.19361 0.08435 1.00000
F12 F 0.55725 0.40471 0.77005 1.00000
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