Dy2(SO4)3
Alexandria ALEXAlex-ID: agm007972004 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C12_21_spg15
Dy2(SO4)3
2024-12-05 15:28:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007972004).
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 agm007972004
data_agm007972004
_cell_length_a 11.08823
_cell_length_b 11.08823
_cell_length_c 6.95370
_cell_angle_alpha 72.88889
_cell_angle_beta 107.11111
_cell_angle_gamma 145.42267
_cell_volume 461.58913
_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 0.98113 0.71338 0.65285 1.00000
Dy2 Dy 0.01887 0.28662 0.34715 1.00000
Dy3 Dy 0.71338 0.98113 0.84715 1.00000
Dy4 Dy 0.28662 0.01887 0.15285 1.00000
S1 S 0.12907 0.49145 0.80436 1.00000
S2 S 0.87093 0.50855 0.19564 1.00000
S3 S 0.49145 0.12907 0.69564 1.00000
S4 S 0.50855 0.87093 0.30436 1.00000
S5 S 0.84523 0.84523 0.25000 1.00000
S6 S 0.15477 0.15477 0.75000 1.00000
O1 O 0.03225 0.33105 0.98983 1.00000
O2 O 0.96775 0.66895 0.01017 1.00000
O3 O 0.33105 0.03225 0.51017 1.00000
O4 O 0.66895 0.96775 0.48983 1.00000
O5 O 0.98906 0.64189 0.36567 1.00000
O6 O 0.01094 0.35811 0.63433 1.00000
O7 O 0.64189 0.98906 0.13433 1.00000
O8 O 0.35811 0.01094 0.86567 1.00000
O9 O 0.64979 0.35805 0.68283 1.00000
O10 O 0.35021 0.64195 0.31717 1.00000
O11 O 0.35805 0.64979 0.81717 1.00000
O12 O 0.64195 0.35021 0.18283 1.00000
O13 O 0.09239 0.59490 0.78561 1.00000
O14 O 0.90761 0.40510 0.21439 1.00000
O15 O 0.59490 0.09239 0.71439 1.00000
O16 O 0.40510 0.90761 0.28561 1.00000
O17 O 0.02764 0.93081 0.19562 1.00000
O18 O 0.97236 0.06919 0.80438 1.00000
O19 O 0.93081 0.02764 0.30438 1.00000
O20 O 0.06919 0.97236 0.69562 1.00000
O21 O 0.75479 0.67926 0.42180 1.00000
O22 O 0.24521 0.32074 0.57820 1.00000
O23 O 0.67926 0.75479 0.07820 1.00000
O24 O 0.32074 0.24521 0.92180 1.00000
