Tb6Tl3Se2S
Alexandria ALEXAlex-ID: agm004635658 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_221_spg12
Tb2SeS Tb4TlSe3 TbTl
2022-06-30 05:54:36.839140
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635658).
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 agm004635658
data_agm004635658
_cell_length_a 6.81267
_cell_length_b 6.81267
_cell_length_c 8.26615
_cell_angle_alpha 97.85535
_cell_angle_beta 97.85535
_cell_angle_gamma 119.93842
_cell_volume 319.82135
_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 0.93115 0.60593 0.78914 1.00000
Tb2 Tb 0.74749 0.74749 0.21624 1.00000
Tb3 Tb 0.06885 0.39407 0.21086 1.00000
Tb4 Tb 0.60593 0.93115 0.78914 1.00000
Tb5 Tb 0.25251 0.25251 0.78376 1.00000
Tb6 Tb 0.39407 0.06885 0.21086 1.00000
Tl1 Tl 0.17396 0.82604 0.50000 1.00000
Tl2 Tl 0.82604 0.17396 0.50000 1.00000
Tl3 Tl 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.33487 0.66513 0.00000 1.00000
Se2 Se 0.66513 0.33487 0.00000 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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