Rb3Tl8Bi3
Alexandria ALEXAlex-ID: agm005687979 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
RbTl2Bi Tl
2023-06-29 11:04:42.444790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687979).
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 agm005687979
data_agm005687979
_cell_length_a 5.56767
_cell_length_b 10.32329
_cell_length_c 10.22368
_cell_angle_alpha 69.09106
_cell_angle_beta 74.19925
_cell_angle_gamma 74.35564
_cell_volume 518.36886
_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 0.30048 0.68996 0.70907 1.00000
Rb2 Rb 0.69952 0.31004 0.29093 1.00000
Rb3 Rb 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.13756 0.14956 0.57531 1.00000
Tl2 Tl 0.86244 0.85044 0.42469 1.00000
Tl3 Tl 0.84962 0.43254 0.86822 1.00000
Tl4 Tl 0.15038 0.56746 0.13178 1.00000
Tl5 Tl 0.49832 0.68508 0.31827 1.00000
Tl6 Tl 0.50168 0.31492 0.68173 1.00000
Tl7 Tl 0.32856 0.02600 0.31687 1.00000
Tl8 Tl 0.67144 0.97400 0.68313 1.00000
Bi1 Bi 0.00000 0.50000 0.50000 1.00000
Bi2 Bi 0.65173 0.71889 0.97765 1.00000
Bi3 Bi 0.34827 0.28111 0.02235 1.00000
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