Rb2TlRh3F12
Alexandria ALEXAlex-ID: agm004497404 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_116_spg166
RbTl2Rh3F12 Rb2RhF6 Rb2Rh5F17 Rh
2022-06-20 02:03:46.775936
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004497404).
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 agm004497404
data_agm004497404
_cell_length_a 7.76836
_cell_length_b 7.76836
_cell_length_c 7.76836
_cell_angle_alpha 57.52272
_cell_angle_beta 57.52272
_cell_angle_gamma 57.52272
_cell_volume 312.60712
_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 0.62435 0.62435 0.62435 1.00000
Rb2 Rb 0.37565 0.37565 0.37565 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.00000 0.00000 1.00000
Rh2 Rh 0.00000 0.50000 0.00000 1.00000
Rh3 Rh 0.00000 0.00000 0.50000 1.00000
F1 F 0.28327 0.28327 0.87473 1.00000
F2 F 0.87360 0.87360 0.44793 1.00000
F3 F 0.44793 0.87360 0.87360 1.00000
F4 F 0.87473 0.28327 0.28327 1.00000
F5 F 0.87360 0.44793 0.87360 1.00000
F6 F 0.28327 0.87473 0.28327 1.00000
F7 F 0.71673 0.71673 0.12527 1.00000
F8 F 0.12640 0.12640 0.55207 1.00000
F9 F 0.55207 0.12640 0.12640 1.00000
F10 F 0.12527 0.71673 0.71673 1.00000
F11 F 0.12640 0.55207 0.12640 1.00000
F12 F 0.71673 0.12527 0.71673 1.00000
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