Tb4SbS3
Alexandria ALEXAlex-ID: agm006038563 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_8_spg65
TbSb TbS
2023-10-06 09:30:16.519491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006038563).
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 agm006038563
data_agm006038563
_cell_length_a 4.04364
_cell_length_b 7.03446
_cell_length_c 7.03447
_cell_angle_alpha 70.77197
_cell_angle_beta 89.99639
_cell_angle_gamma 89.99639
_cell_volume 188.93223
_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
Sb1 Sb 0.49996 0.50013 0.99996 1.00000
S1 S 0.49996 0.00013 0.49996 1.00000
S2 S 0.99995 0.00011 0.99998 1.00000
S3 S 0.99995 0.50011 0.49998 1.00000
Tb1 Tb 0.99996 0.77281 0.72728 1.00000
Tb2 Tb 0.50019 0.76067 0.26054 1.00000
Tb3 Tb 0.99996 0.22744 0.27265 1.00000
Tb4 Tb 0.49971 0.23954 0.73942 1.00000
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