RbTlSb
Alexandria ALEXAlex-ID: agm005584992 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
RbTlSb
2023-06-18 07:17:08.597450
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005584992).
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 agm005584992
data_agm005584992
_cell_length_a 8.30770
_cell_length_b 10.01131
_cell_length_c 10.01132
_cell_angle_alpha 67.51350
_cell_angle_beta 65.48600
_cell_angle_gamma 65.48599
_cell_volume 666.69178
_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 0.18679 0.03316 0.53316 1.00000
Rb2 Rb 0.75312 0.96684 0.46684 1.00000
Rb3 Rb 0.31922 0.74997 0.24997 1.00000
Rb4 Rb 0.31917 0.25003 0.75003 1.00000
Rb5 Rb 0.75353 0.46663 0.96663 1.00000
Rb6 Rb 0.18678 0.53337 0.03337 1.00000
Tl1 Tl 0.00393 1.00000 1.00000 1.00000
Tl2 Tl 0.00393 0.50000 0.50000 1.00000
Tl3 Tl 0.75375 0.37471 0.37456 1.00000
Tl4 Tl 0.50302 0.62529 0.62544 1.00000
Tl5 Tl 0.50302 0.12544 0.12529 1.00000
Tl6 Tl 0.75375 0.87456 0.87471 1.00000
Sb1 Sb 0.75298 0.24996 0.74996 1.00000
Sb2 Sb 0.75289 0.75004 0.25004 1.00000
Sb3 Sb 0.08657 0.16686 0.16687 1.00000
Sb4 Sb 0.42029 0.83314 0.83313 1.00000
Sb5 Sb 0.42029 0.33313 0.33314 1.00000
Sb6 Sb 0.08657 0.66687 0.66686 1.00000
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