Ba3TbMnS6
Alexandria ALEXAlex-ID: agm021776216 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6_0_spg2
Ba3TbMnS6
2025-02-26 05:13:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021776216).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm021776216
data_agm021776216
_cell_length_a 8.25196
_cell_length_b 8.54858
_cell_length_c 8.25311
_cell_angle_alpha 92.61250
_cell_angle_beta 94.01684
_cell_angle_gamma 92.62728
_cell_volume 579.45840
_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
Ba1 Ba 0.12757 0.37179 0.75526 1.00000
Ba2 Ba 0.37308 0.74982 0.12680 1.00000
Ba3 Ba 0.74491 0.12827 0.37253 1.00000
Ba4 Ba 0.62692 0.25018 0.87320 1.00000
Ba5 Ba 0.25509 0.87173 0.62747 1.00000
Ba6 Ba 0.87243 0.62821 0.24474 1.00000
Tb1 Tb 0.24431 0.24982 0.25589 1.00000
Tb2 Tb 0.75569 0.75018 0.74411 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.00000 1.00000
S1 S 0.40311 0.19984 0.54577 1.00000
S2 S 0.21939 0.54115 0.41855 1.00000
S3 S 0.53176 0.41488 0.21599 1.00000
S4 S 0.91860 0.04145 0.71938 1.00000
S5 S 0.04544 0.69986 0.90300 1.00000
S6 S 0.71596 0.91518 0.03165 1.00000
S7 S 0.59689 0.80016 0.45423 1.00000
S8 S 0.78061 0.45885 0.58145 1.00000
S9 S 0.46824 0.58512 0.78401 1.00000
S10 S 0.08140 0.95855 0.28062 1.00000
S11 S 0.95456 0.30014 0.09700 1.00000
S12 S 0.28404 0.08482 0.96835 1.00000
