TbY(ErS2)4
Alexandria ALEXAlex-ID: agm004918367 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_5_spg160
Tb2(YS2)3 Er3S4 Er2S3 Tb5S6
2022-07-02 17:11:20.091790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004918367).
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 agm004918367
data_agm004918367
_cell_length_a 7.99829
_cell_length_b 7.99829
_cell_length_c 8.01225
_cell_angle_alpha 60.05763
_cell_angle_beta 60.05763
_cell_angle_gamma 60.00000
_cell_volume 362.75368
_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 0.37446 0.37446 0.87661 1.00000
Y1 Y 0.99982 0.99982 0.00053 1.00000
Er1 Er 0.62531 0.62531 0.12406 1.00000
Er2 Er 0.99975 0.50082 0.49969 1.00000
Er3 Er 0.50082 0.99975 0.49969 1.00000
Er4 Er 0.99975 0.99975 0.49969 1.00000
S1 S 0.24355 0.77511 0.73779 1.00000
S2 S 0.77511 0.24355 0.73779 1.00000
S3 S 0.24355 0.24355 0.73779 1.00000
S4 S 0.24063 0.24063 0.27811 1.00000
S5 S 0.75516 0.22924 0.26044 1.00000
S6 S 0.22924 0.75516 0.26044 1.00000
S7 S 0.75516 0.75516 0.26044 1.00000
S8 S 0.75769 0.75769 0.72692 1.00000
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