Tb8SiSe4S3
Alexandria ALEXAlex-ID: agm004716628 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Tb2SeS Tb4SiSe3 Tb4SiS3
2023-02-05 10:05:48.985878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004716628).
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 agm004716628
data_agm004716628
_cell_length_a 8.03216
_cell_length_b 8.15947
_cell_length_c 8.03274
_cell_angle_alpha 119.49127
_cell_angle_beta 119.99762
_cell_angle_gamma 90.00000
_cell_volume 375.10722
_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
Tb1 Tb 0.24249 0.72878 0.98642 1.00000
Tb2 Tb 0.24247 0.72878 0.48494 1.00000
Tb3 Tb 0.25836 0.27496 0.51672 1.00000
Tb4 Tb 0.74392 0.72878 0.98642 1.00000
Tb5 Tb 0.25608 0.27122 0.01358 1.00000
Tb6 Tb 0.74164 0.72504 0.48328 1.00000
Tb7 Tb 0.75753 0.27122 0.51506 1.00000
Tb8 Tb 0.75751 0.27122 0.01358 1.00000
Si1 Si 0.00000 0.50000 0.00000 1.00000
Se1 Se 0.50000 0.00000 0.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
Se3 Se 0.00000 0.00000 0.00000 1.00000
Se4 Se 0.00000 0.00000 0.50000 1.00000
S1 S 0.50000 0.50000 0.00000 1.00000
S2 S 0.50000 0.50000 0.50000 1.00000
S3 S 0.00000 0.50000 0.50000 1.00000
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