Dy(IO3)2
Alexandria ALEXAlex-ID: agm005687327 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_856_spg15
Dy6IO12 Dy(IO3)3 I
2023-07-09 01:40:55.034363
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687327).
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 agm005687327
data_agm005687327
_cell_length_a 5.97483
_cell_length_b 7.59945
_cell_length_c 7.59945
_cell_angle_alpha 102.84347
_cell_angle_beta 81.86857
_cell_angle_gamma 81.86856
_cell_volume 327.65458
_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 0.25000 0.08659 0.91341 1.00000
Dy2 Dy 0.75000 0.91341 0.08659 1.00000
I1 I 0.28930 0.55544 0.80688 1.00000
I2 I 0.21070 0.19312 0.44456 1.00000
I3 I 0.71070 0.44456 0.19312 1.00000
I4 I 0.78930 0.80688 0.55544 1.00000
O1 O 0.53892 0.71171 0.49123 1.00000
O2 O 0.96108 0.50877 0.28829 1.00000
O3 O 0.46108 0.28829 0.50877 1.00000
O4 O 0.03892 0.49123 0.71171 1.00000
O5 O 0.83655 0.93025 0.36740 1.00000
O6 O 0.66345 0.63260 0.06975 1.00000
O7 O 0.16345 0.06975 0.63260 1.00000
O8 O 0.33655 0.36740 0.93025 1.00000
O9 O 0.11367 0.81900 0.91846 1.00000
O10 O 0.38633 0.08154 0.18100 1.00000
O11 O 0.88633 0.18100 0.08154 1.00000
O12 O 0.61367 0.91846 0.81900 1.00000
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