Rb5Tl6Zn
Alexandria ALEXAlex-ID: agm006136144 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_72_spg12
Rb8Tl11 Rb RbZn13
2023-09-13 10:52:39.786672
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136144).
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 agm006136144
data_agm006136144
_cell_length_a 9.54036
_cell_length_b 7.71416
_cell_length_c 9.26955
_cell_angle_alpha 65.41127
_cell_angle_beta 79.18545
_cell_angle_gamma 63.19695
_cell_volume 553.68905
_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
Tl1 Tl 0.69279 0.95749 0.00000 1.00000
Tl2 Tl 0.81909 0.95723 0.29025 1.00000
Tl3 Tl 0.18091 0.75252 0.29025 1.00000
Tl4 Tl 0.18091 0.04277 0.70975 1.00000
Tl5 Tl 0.81909 0.24748 0.70975 1.00000
Tl6 Tl 0.30721 0.04251 1.00000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.50000 0.21318 0.57365 1.00000
Rb2 Rb 0.00000 0.63986 0.72028 1.00000
Rb3 Rb 1.00000 0.36014 0.27972 1.00000
Rb4 Rb 0.50000 0.50000 0.00000 1.00000
Rb5 Rb 0.50000 0.78682 0.42635 1.00000
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