TbY2CuS5
Alexandria ALEXAlex-ID: agm005152371 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_211_spg36
Y2S3 TbCuS2
2023-01-19 13:53:25.970997
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152371).
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 agm005152371
data_agm005152371
_cell_length_a 3.83279
_cell_length_b 8.65678
_cell_length_c 11.40952
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.78980
_cell_volume 369.17093
_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 0.80520 0.61040 0.50974 1.00000
Tb2 Tb 0.19480 0.38960 0.00974 1.00000
Y1 Y 0.88151 0.76301 0.80739 1.00000
Y2 Y 0.10507 0.21014 0.68360 1.00000
Y3 Y 0.11849 0.23699 0.30739 1.00000
Y4 Y 0.89493 0.78986 0.18360 1.00000
Cu1 Cu 0.55839 0.11678 0.95587 1.00000
Cu2 Cu 0.44161 0.88322 0.45587 1.00000
S1 S 0.35837 0.71673 0.00147 1.00000
S2 S 0.67987 0.35973 0.84222 1.00000
S3 S 0.49744 0.99487 0.77915 1.00000
S4 S 0.29034 0.58069 0.68025 1.00000
S5 S 0.95777 0.91554 0.56429 1.00000
S6 S 0.64163 0.28327 0.50147 1.00000
S7 S 0.32013 0.64027 0.34222 1.00000
S8 S 0.50256 0.00513 0.27915 1.00000
S9 S 0.70966 0.41931 0.18025 1.00000
S10 S 0.04223 0.08446 0.06429 1.00000
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