Tb4Dy4S4O7
Alexandria ALEXAlex-ID: agm018003865 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B4C4D7_0_spg8
Tb6S5 Tb2SO2 Dy2SO2 Tb
2025-02-27 00:25:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018003865).
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 agm018003865
data_agm018003865
_cell_length_a 7.63729
_cell_length_b 7.63729
_cell_length_c 9.35832
_cell_angle_alpha 52.29541
_cell_angle_beta 127.70459
_cell_angle_gamma 119.93355
_cell_volume 334.80431
_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 0.19645 0.30245 0.66682 1.00000
Tb2 Tb 0.69755 0.80355 0.66682 1.00000
Tb3 Tb 0.70183 0.29817 0.16669 1.00000
Tb4 Tb 0.19661 0.80339 0.16632 1.00000
Dy1 Dy 0.81299 0.18701 0.83347 1.00000
Dy2 Dy 0.30853 0.69147 0.82527 1.00000
Dy3 Dy 0.82027 0.69154 0.33743 1.00000
Dy4 Dy 0.30846 0.17973 0.33743 1.00000
S1 S 0.01066 0.49619 0.00081 1.00000
S2 S 0.50381 0.98934 0.00081 1.00000
S3 S 0.50382 0.49618 0.49728 1.00000
S4 S 0.00455 0.99545 0.50143 1.00000
O1 O 0.98646 0.01354 0.83413 1.00000
O2 O 0.48638 0.51362 0.83866 1.00000
O3 O 0.48586 0.02189 0.33020 1.00000
O4 O 0.97811 0.51414 0.33020 1.00000
O5 O 0.02242 0.47552 0.66681 1.00000
O6 O 0.52448 0.97758 0.66681 1.00000
O7 O 0.02256 0.97744 0.16597 1.00000
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