Tb3SbS2
Alexandria ALEXAlex-ID: agm005804269 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1011_spg74
TbSb TbS
2023-08-25 03:22:47.013135
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804269).
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 agm005804269
data_agm005804269
_cell_length_a 8.71069
_cell_length_b 7.80906
_cell_length_c 7.80906
_cell_angle_alpha 54.92552
_cell_angle_beta 56.10102
_cell_angle_gamma 56.10103
_cell_volume 338.11437
_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 1.00000 0.72901 0.27099 1.00000
Tb2 Tb 0.00000 0.27099 0.72901 1.00000
Tb3 Tb 0.50000 0.77099 0.22901 1.00000
Tb4 Tb 0.50000 0.00000 0.50000 1.00000
Tb5 Tb 0.50000 0.50000 0.00000 1.00000
Tb6 Tb 0.50000 0.22901 0.77099 1.00000
Sb1 Sb 0.18601 0.25000 0.25000 1.00000
Sb2 Sb 0.81399 0.75000 0.75000 1.00000
S1 S 0.26384 0.94338 0.94338 1.00000
S2 S 0.34941 0.44338 0.44338 1.00000
S3 S 0.65059 0.55662 0.55662 1.00000
S4 S 0.73616 0.05662 0.05662 1.00000
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