Rb3Tb2ThS6
Alexandria ALEXAlex-ID: agm004640944 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
RbTbS2 Rb2ThS3 ThS
2022-07-02 08:18:51.073410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004640944).
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 agm004640944
data_agm004640944
_cell_length_a 7.12096
_cell_length_b 7.12096
_cell_length_c 8.08087
_cell_angle_alpha 98.44466
_cell_angle_beta 98.44466
_cell_angle_gamma 120.00399
_cell_volume 339.20018
_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 0.16724 0.83276 0.50000 1.00000
Rb2 Rb 0.83276 0.16724 0.50000 1.00000
Rb3 Rb 0.50000 0.50000 0.50000 1.00000
Tb1 Tb 0.33338 0.66662 0.00000 1.00000
Tb2 Tb 0.66662 0.33338 0.00000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
S1 S 0.93477 0.59981 0.80418 1.00000
S2 S 0.73047 0.73047 0.19602 1.00000
S3 S 0.06523 0.40019 0.19582 1.00000
S4 S 0.59981 0.93477 0.80418 1.00000
S5 S 0.26953 0.26953 0.80398 1.00000
S6 S 0.40019 0.06523 0.19582 1.00000
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