RbLi2TeS4
Alexandria ALEXAlex-ID: agm004869983 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_648_spg1
Rb2TeS3 Li2TeS3 Rb4TeS15 Li2S
2023-01-26 11:29:04.058832
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004869983).
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 agm004869983
data_agm004869983
_cell_length_a 8.46329
_cell_length_b 10.23457
_cell_length_c 8.91544
_cell_angle_alpha 128.33605
_cell_angle_beta 125.15105
_cell_angle_gamma 85.81025
_cell_volume 444.04469
_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 0.20215 0.57075 0.11240 1.00000
Rb2 Rb 0.90952 0.37577 0.35342 1.00000
Li1 Li 0.41113 0.04635 0.05958 1.00000
Li2 Li 0.43779 0.08202 0.44567 1.00000
Li3 Li 0.03995 0.86527 0.50840 1.00000
Li4 Li 0.53676 0.71892 0.06899 1.00000
Te1 Te 0.56217 0.49558 0.64153 1.00000
Te2 Te 0.91146 0.90453 0.81504 1.00000
S1 S 0.23128 0.81097 0.97795 1.00000
S2 S 0.71329 0.28225 0.53622 1.00000
S3 S 0.40400 0.87318 0.70554 1.00000
S4 S 0.58717 0.01889 0.72365 1.00000
S5 S 0.83930 0.77672 0.08860 1.00000
S6 S 0.72469 0.66711 0.36299 1.00000
S7 S 0.36876 0.36466 0.66653 1.00000
S8 S 0.12056 0.14703 0.93348 1.00000
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