Rb8Tl6I
Alexandria ALEXAlex-ID: agm072115591 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_120_spg148
Rb8Tl11 Rb RbI
2024-10-07 04:46:08.918957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072115591).
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 agm072115591
data_agm072115591
_cell_length_a 9.35853
_cell_length_b 9.35853
_cell_length_c 9.35853
_cell_angle_alpha 88.27214
_cell_angle_beta 88.27214
_cell_angle_gamma 88.27214
_cell_volume 818.54403
_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 0.77451 0.77451 0.77451 1.00000
Rb2 Rb 0.22549 0.22549 0.22549 1.00000
Rb3 Rb 0.24983 0.64085 0.91331 1.00000
Rb4 Rb 0.64085 0.91331 0.24983 1.00000
Rb5 Rb 0.91331 0.24983 0.64085 1.00000
Rb6 Rb 0.75017 0.35915 0.08669 1.00000
Rb7 Rb 0.35915 0.08669 0.75017 1.00000
Rb8 Rb 0.08669 0.75017 0.35915 1.00000
Tl1 Tl 0.73518 0.56154 0.43966 1.00000
Tl2 Tl 0.56154 0.43966 0.73518 1.00000
Tl3 Tl 0.43966 0.73518 0.56154 1.00000
Tl4 Tl 0.26482 0.43846 0.56034 1.00000
Tl5 Tl 0.43846 0.56034 0.26482 1.00000
Tl6 Tl 0.56034 0.26482 0.43846 1.00000
I1 I 0.00000 0.00000 0.00000 1.00000
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