Tb3Mn3S8
Alexandria ALEXAlex-ID: agm005697153 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_4_spg166
Mn2S3 MnS Tb2S3
2023-06-29 11:14:38.415466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697153).
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 agm005697153
data_agm005697153
_cell_length_a 7.65917
_cell_length_b 7.65917
_cell_length_c 7.65917
_cell_angle_alpha 61.00243
_cell_angle_beta 61.00243
_cell_angle_gamma 61.00243
_cell_volume 324.88293
_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 0.50000 0.00000 0.00000 1.00000
Tb2 Tb 0.00000 0.50000 0.00000 1.00000
Tb3 Tb 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.37677 0.37677 0.37677 1.00000
Mn2 Mn 0.62323 0.62323 0.62323 1.00000
Mn3 Mn 0.00000 0.00000 0.00000 1.00000
S1 S 0.75155 0.75155 0.75155 1.00000
S2 S 0.23821 0.76470 0.76470 1.00000
S3 S 0.76470 0.23821 0.76470 1.00000
S4 S 0.76470 0.76470 0.23821 1.00000
S5 S 0.24845 0.24845 0.24845 1.00000
S6 S 0.76179 0.23530 0.23530 1.00000
S7 S 0.23530 0.76179 0.23530 1.00000
S8 S 0.23530 0.23530 0.76179 1.00000
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