RbHg2F6
Alexandria ALEXAlex-ID: agm097188767 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1894_spg2
RbHgF4 HgF2
2025-04-06 22:41:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097188767).
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 agm097188767
data_agm097188767
_cell_length_a 4.44365
_cell_length_b 4.80158
_cell_length_c 8.32401
_cell_angle_alpha 89.98699
_cell_angle_beta 97.98287
_cell_angle_gamma 90.02697
_cell_volume 175.88460
_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 0.43717 0.33358 0.82838 1.00000
Hg1 Hg 0.07095 0.83347 0.16684 1.00000
Hg2 Hg 0.83793 0.33317 0.44320 1.00000
F1 F 0.38193 0.83350 0.00881 1.00000
F2 F 0.34021 0.33307 0.44327 1.00000
F3 F 0.89289 0.07085 0.67521 1.00000
F4 F 0.77477 0.83326 0.33845 1.00000
F5 F 0.89314 0.59572 0.67508 1.00000
F6 F 0.87101 0.33338 0.17076 1.00000
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