Tb2UCuS5
Alexandria ALEXAlex-ID: agm005157960 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_211_spg36
US2 Tb2S3 Cu
2023-01-19 13:53:44.882693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005157960).
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 agm005157960
data_agm005157960
_cell_length_a 3.79871
_cell_length_b 8.73335
_cell_length_c 11.42075
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.56124
_cell_volume 369.82008
_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 0.88159 0.76318 0.81315 1.00000
Tb2 Tb 0.10368 0.20737 0.68665 1.00000
Tb3 Tb 0.11841 0.23682 0.31315 1.00000
Tb4 Tb 0.89632 0.79263 0.18665 1.00000
U1 U 0.80239 0.60477 0.51197 1.00000
U2 U 0.19761 0.39523 0.01197 1.00000
Cu1 Cu 0.55792 0.11584 0.94830 1.00000
Cu2 Cu 0.44208 0.88416 0.44830 1.00000
S1 S 0.35998 0.71996 0.00541 1.00000
S2 S 0.67832 0.35664 0.84368 1.00000
S3 S 0.49509 0.99017 0.77403 1.00000
S4 S 0.29346 0.58691 0.68333 1.00000
S5 S 0.95452 0.90904 0.55745 1.00000
S6 S 0.64002 0.28004 0.50541 1.00000
S7 S 0.32168 0.64336 0.34368 1.00000
S8 S 0.50491 0.00983 0.27403 1.00000
S9 S 0.70654 0.41309 0.18333 1.00000
S10 S 0.04548 0.09096 0.05745 1.00000
Get direct link