Rb2TbTlS4
Alexandria ALEXAlex-ID: agm004870199 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
RbTlS2 RbTbS2
2023-01-31 00:01:27.268386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004870199).
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 agm004870199
data_agm004870199
_cell_length_a 8.56462
_cell_length_b 8.56462
_cell_length_c 8.45053
_cell_angle_alpha 118.59884
_cell_angle_beta 118.59893
_cell_angle_gamma 92.24487
_cell_volume 447.96271
_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 0.50000 0.00000 0.00000 1.00000
Rb2 Rb 0.50000 0.00000 0.50000 1.00000
Rb3 Rb 0.00000 0.00000 0.50000 1.00000
Rb4 Rb 0.50000 0.50000 1.00000 1.00000
Tb1 Tb 0.00000 0.50000 0.00001 1.00000
Tb2 Tb 1.00000 0.50000 0.49999 1.00000
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.99999 0.00000 1.00000 1.00000
S1 S 0.20108 0.72160 0.95740 1.00000
S2 S 0.77840 0.29892 0.54260 1.00000
S3 S 0.22160 0.70107 0.45740 1.00000
S4 S 0.79893 0.27840 0.04260 1.00000
S5 S 0.78049 0.74448 0.97571 1.00000
S6 S 0.75551 0.71951 0.52429 1.00000
S7 S 0.24448 0.28050 0.47571 1.00000
S8 S 0.21950 0.25552 0.02429 1.00000
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