Tb(Se3S)4
Alexandria ALEXAlex-ID: agm099463577 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_1976_spg1
SeS7 Tb10S19 Se
2025-04-22 14:00:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099463577).
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 agm099463577
data_agm099463577
_cell_length_a 4.94247
_cell_length_b 10.12078
_cell_length_c 12.78021
_cell_angle_alpha 92.45448
_cell_angle_beta 91.81536
_cell_angle_gamma 107.14158
_cell_volume 609.67230
_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 0.27700 0.69568 0.60844 1.00000
Se1 Se 0.24855 0.09050 0.78372 1.00000
Se2 Se 0.72706 0.92289 0.49481 1.00000
Se3 Se 0.46297 0.51621 0.75966 1.00000
Se4 Se 0.52359 0.58411 0.03264 1.00000
Se5 Se 0.42262 0.78480 0.10590 1.00000
Se6 Se 0.53687 0.70129 0.39437 1.00000
Se7 Se 0.50157 0.16502 0.95562 1.00000
Se8 Se 0.43494 0.42073 0.57938 1.00000
Se9 Se 0.80279 0.73634 0.73214 1.00000
Se10 Se 0.20180 0.72190 0.26338 1.00000
Se11 Se 0.94693 0.21267 0.73861 1.00000
Se12 Se 0.09026 0.28990 0.14628 1.00000
S1 S 0.17241 0.09679 0.06783 1.00000
S2 S 0.17230 0.92779 0.53772 1.00000
S3 S 0.10026 0.42504 0.01632 1.00000
S4 S 0.87807 0.45834 0.53317 1.00000
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