Cs2Hg3RhF12
Alexandria ALEXAlex-ID: agm032139276 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_104_spg166
HgF2 Cs2RhF6
2024-12-05 05:01:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032139276).
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 agm032139276
data_agm032139276
_cell_length_a 7.97165
_cell_length_b 7.97873
_cell_length_c 7.79911
_cell_angle_alpha 59.37662
_cell_angle_beta 59.41743
_cell_angle_gamma 59.96425
_cell_volume 347.43872
_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
Cs1 Cs 0.36333 0.36405 0.90916 1.00000
Cs2 Cs 0.63667 0.63595 0.09084 1.00000
Hg1 Hg 0.50000 0.00000 0.50000 1.00000
Hg2 Hg 0.00000 0.50000 0.50000 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
F1 F 0.68666 0.60847 0.66666 1.00000
F2 F 0.16351 0.87108 0.18128 1.00000
F3 F 0.78456 0.16164 0.18285 1.00000
F4 F 0.03797 0.68694 0.66670 1.00000
F5 F 0.87248 0.78408 0.18076 1.00000
F6 F 0.60820 0.03791 0.66758 1.00000
F7 F 0.31334 0.39153 0.33334 1.00000
F8 F 0.83649 0.12892 0.81872 1.00000
F9 F 0.21544 0.83836 0.81715 1.00000
F10 F 0.96203 0.31306 0.33330 1.00000
F11 F 0.12752 0.21592 0.81924 1.00000
F12 F 0.39180 0.96209 0.33242 1.00000
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