RbLi2(TlSb)2
Alexandria ALEXAlex-ID: agm004551925 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_139_spg166
RbTlSb Li3Sb Rb3Tl7Sb4 Li2Sb
2022-06-22 06:19:57.844220
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004551925).
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 agm004551925
data_agm004551925
_cell_length_a 4.99867
_cell_length_b 4.99867
_cell_length_c 10.89228
_cell_angle_alpha 76.73476
_cell_angle_beta 76.73476
_cell_angle_gamma 60.00000
_cell_volume 227.27530
_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 0.00000 0.00000 0.00000 1.00000
Li1 Li 0.57841 0.57841 0.26477 1.00000
Li2 Li 0.42159 0.42159 0.73523 1.00000
Tl1 Tl 0.13385 0.13385 0.59844 1.00000
Tl2 Tl 0.86615 0.86615 0.40156 1.00000
Sb1 Sb 0.74965 0.74965 0.75106 1.00000
Sb2 Sb 0.25035 0.25035 0.24894 1.00000
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