Tb3(TmS2)2
Alexandria ALEXAlex-ID: agm005693729 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Tb4TmS5 TbTm4S5 Tm
2023-06-29 02:06:07.938991
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693729).
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 agm005693729
data_agm005693729
_cell_length_a 3.83054
_cell_length_b 3.83054
_cell_length_c 15.95674
_cell_angle_alpha 90.01513
_cell_angle_beta 89.98487
_cell_angle_gamma 119.99612
_cell_volume 202.77426
_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 0.66642 0.33358 0.40946 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Tb3 Tb 0.33358 0.66642 0.59054 1.00000
Tm1 Tm 0.66697 0.33303 0.79530 1.00000
Tm2 Tm 0.33303 0.66697 0.20470 1.00000
S1 S 0.33350 0.66650 0.89452 1.00000
S2 S 0.99970 0.00030 0.30159 1.00000
S3 S 0.00030 0.99970 0.69841 1.00000
S4 S 0.66650 0.33350 0.10548 1.00000
Get direct link