RbTlS14
Alexandria ALEXAlex-ID: agm005755929 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_101_spg74
RbS3 TlS11
2023-07-23 22:18:48.742877
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755929).
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 agm005755929
data_agm005755929
_cell_length_a 11.84876
_cell_length_b 11.84876
_cell_length_c 11.84876
_cell_angle_alpha 141.13132
_cell_angle_beta 93.28342
_cell_angle_gamma 99.44720
_cell_volume 982.64139
_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 0.68992 0.25000 0.43992 1.00000
Rb2 Rb 0.31008 0.75000 0.56008 1.00000
Tl1 Tl 0.00000 0.50000 0.00000 1.00000
Tl2 Tl 0.00000 0.00000 0.50000 1.00000
S1 S 0.71377 0.81264 0.90113 1.00000
S2 S 0.28623 0.18736 0.09887 1.00000
S3 S 0.41151 0.31264 0.09887 1.00000
S4 S 0.58849 0.68736 0.90113 1.00000
S5 S 0.99709 0.37502 0.62207 1.00000
S6 S 0.00291 0.62498 0.37793 1.00000
S7 S 0.25295 0.87502 0.37793 1.00000
S8 S 0.74705 0.12498 0.62207 1.00000
S9 S 0.24659 0.37091 0.87567 1.00000
S10 S 0.75341 0.62909 0.12433 1.00000
S11 S 0.99524 0.87091 0.12433 1.00000
S12 S 0.00476 0.12909 0.87567 1.00000
S13 S 0.71337 0.14562 0.05043 1.00000
S14 S 0.28663 0.33706 0.43225 1.00000
S15 S 0.59519 0.64562 0.43225 1.00000
S16 S 0.40481 0.83706 0.05043 1.00000
S17 S 0.28663 0.85438 0.94957 1.00000
S18 S 0.71337 0.66294 0.56775 1.00000
S19 S 0.40481 0.35438 0.56775 1.00000
S20 S 0.59519 0.16294 0.94957 1.00000
S21 S 0.32554 0.66589 0.14921 1.00000
S22 S 0.67446 0.82367 0.34035 1.00000
S23 S 0.01668 0.16589 0.34035 1.00000
S24 S 0.98332 0.32367 0.14921 1.00000
S25 S 0.67446 0.33411 0.85079 1.00000
S26 S 0.32554 0.17633 0.65965 1.00000
S27 S 0.98332 0.83411 0.65965 1.00000
S28 S 0.01668 0.67633 0.85079 1.00000
