Dy2H4(SO4)3
Alexandria ALEXAlex-ID: agm005288605 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D12_49_spg15
Dy2SO2 Dy2(SO4)3 S8O H2O
2024-10-05 02:05:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288605).
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 agm005288605
data_agm005288605
_cell_length_a 6.79773
_cell_length_b 6.79773
_cell_length_c 12.86945
_cell_angle_alpha 79.47990
_cell_angle_beta 79.47990
_cell_angle_gamma 60.27889
_cell_volume 504.81289
_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
Dy1 Dy 0.18892 0.21227 0.82587 1.00000
Dy2 Dy 0.78773 0.81108 0.67413 1.00000
Dy3 Dy 0.81108 0.78773 0.17413 1.00000
Dy4 Dy 0.21227 0.18892 0.32587 1.00000
H1 H 0.84840 0.05281 0.91346 1.00000
H2 H 0.94719 0.15160 0.58654 1.00000
H3 H 0.15160 0.94719 0.08654 1.00000
H4 H 0.05281 0.84840 0.41346 1.00000
H5 H 0.69104 0.29623 0.85900 1.00000
H6 H 0.70377 0.30896 0.64100 1.00000
H7 H 0.30896 0.70377 0.14100 1.00000
H8 H 0.29623 0.69104 0.35900 1.00000
S1 S 0.25486 0.30140 0.57679 1.00000
S2 S 0.69860 0.74514 0.92321 1.00000
S3 S 0.74514 0.69860 0.42321 1.00000
S4 S 0.30140 0.25486 0.07679 1.00000
S5 S 0.33397 0.66603 0.75000 1.00000
S6 S 0.66603 0.33397 0.25000 1.00000
O1 O 0.04029 0.41446 0.65958 1.00000
O2 O 0.58554 0.95971 0.84042 1.00000
O3 O 0.95971 0.58554 0.34042 1.00000
O4 O 0.41446 0.04029 0.15958 1.00000
O5 O 0.40791 0.10251 0.65554 1.00000
O6 O 0.89749 0.59209 0.84446 1.00000
O7 O 0.59209 0.89749 0.34446 1.00000
O8 O 0.10251 0.40791 0.15554 1.00000
O9 O 0.18002 0.19324 0.50776 1.00000
O10 O 0.80676 0.81998 0.99224 1.00000
O11 O 0.81998 0.80676 0.49224 1.00000
O12 O 0.19324 0.18002 0.00776 1.00000
O13 O 0.37218 0.43977 0.80833 1.00000
O14 O 0.56023 0.62782 0.69167 1.00000
O15 O 0.62782 0.56023 0.19167 1.00000
O16 O 0.43977 0.37218 0.30833 1.00000
O17 O 0.25513 0.83478 0.82689 1.00000
O18 O 0.16522 0.74487 0.67311 1.00000
O19 O 0.74487 0.16522 0.17311 1.00000
O20 O 0.83478 0.25513 0.32689 1.00000
O21 O 0.84530 0.19743 0.88010 1.00000
O22 O 0.80257 0.15470 0.61990 1.00000
O23 O 0.15470 0.80257 0.11990 1.00000
O24 O 0.19743 0.84530 0.38010 1.00000
