Tb2Y4S9
Alexandria ALEXAlex-ID: agm005641577 · Space group: P-3c1 (#165)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C9_0_spg9
Tb2S3 Y2S3
2023-06-17 00:58:42.987194
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641577).
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 agm005641577
data_agm005641577
_cell_length_a 6.93001
_cell_length_b 6.92957
_cell_length_c 18.56620
_cell_angle_alpha 89.99629
_cell_angle_beta 89.99729
_cell_angle_gamma 59.99719
_cell_volume 772.11459
_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 0.99980 0.99998 0.35089 1.00000
Tb2 Tb 0.99979 0.00002 0.14909 1.00000
Tb3 Tb 0.00020 0.00002 0.64911 1.00000
Tb4 Tb 0.00021 0.99998 0.85091 1.00000
Y1 Y 0.33338 0.33335 0.98315 1.00000
Y2 Y 0.33328 0.33336 0.48317 1.00000
Y3 Y 0.66662 0.66665 0.01685 1.00000
Y4 Y 0.33307 0.33335 0.18402 1.00000
Y5 Y 0.66672 0.66664 0.51683 1.00000
Y6 Y 0.66644 0.66664 0.31599 1.00000
Y7 Y 0.33356 0.33336 0.68401 1.00000
Y8 Y 0.66693 0.66665 0.81598 1.00000
S1 S 0.00031 0.30089 0.75002 1.00000
S2 S 0.30117 0.69910 0.75000 1.00000
S3 S 0.69933 0.00003 0.75001 1.00000
S4 S 0.99969 0.69911 0.24998 1.00000
S5 S 0.69883 0.30090 0.25000 1.00000
S6 S 0.30067 0.99997 0.24999 1.00000
S7 S 0.66490 0.96778 0.41654 1.00000
S8 S 0.96771 0.36710 0.41657 1.00000
S9 S 0.36699 0.66520 0.41660 1.00000
S10 S 0.63268 0.03225 0.08345 1.00000
S11 S 0.33481 0.63288 0.08343 1.00000
S12 S 0.03222 0.33479 0.08339 1.00000
S13 S 0.33510 0.03222 0.58346 1.00000
S14 S 0.03229 0.63290 0.58343 1.00000
S15 S 0.63301 0.33480 0.58340 1.00000
S16 S 0.36732 0.96775 0.91655 1.00000
S17 S 0.66519 0.36712 0.91657 1.00000
S18 S 0.96778 0.66521 0.91661 1.00000
