DyH4I3O11
Alexandria ALEXAlex-ID: agm003245877 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D11_7_spg2
Dy(IO3)3 H2O
2021-12-18 03:37:36.580580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003245877).
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 agm003245877
data_agm003245877
_cell_length_a 7.09348
_cell_length_b 7.51211
_cell_length_c 10.89303
_cell_angle_alpha 94.02032
_cell_angle_beta 106.81340
_cell_angle_gamma 108.25976
_cell_volume 519.34977
_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 0.90727 0.58141 0.21352 1.00000
Dy2 Dy 0.09273 0.41859 0.78648 1.00000
H1 H 0.85360 0.74535 0.61239 1.00000
H2 H 0.14640 0.25465 0.38761 1.00000
H3 H 0.80251 0.93405 0.62834 1.00000
H4 H 0.19749 0.06595 0.37166 1.00000
H5 H 0.76225 0.89219 0.13636 1.00000
H6 H 0.26280 0.09386 0.72194 1.00000
H7 H 0.73720 0.90614 0.27806 1.00000
H8 H 0.23775 0.10781 0.86364 1.00000
I1 I 0.74139 0.26993 0.44496 1.00000
I2 I 0.25861 0.73007 0.55504 1.00000
I3 I 0.70727 0.63783 0.83697 1.00000
I4 I 0.29273 0.36217 0.16303 1.00000
I5 I 0.69380 0.15819 0.93683 1.00000
I6 I 0.30620 0.84181 0.06317 1.00000
O1 O 0.25452 0.20463 0.37507 1.00000
O2 O 0.86555 0.27775 0.10356 1.00000
O3 O 0.09881 0.83446 0.13225 1.00000
O4 O 0.90119 0.16554 0.86775 1.00000
O5 O 0.35893 0.08708 0.02898 1.00000
O6 O 0.64107 0.91292 0.97102 1.00000
O7 O 0.13445 0.72225 0.89644 1.00000
O8 O 0.71167 0.53085 0.98481 1.00000
O9 O 0.24820 0.55520 0.25068 1.00000
O10 O 0.75180 0.44480 0.74932 1.00000
O11 O 0.57953 0.43460 0.24495 1.00000
O12 O 0.42047 0.56540 0.75505 1.00000
O13 O 0.04606 0.62181 0.62303 1.00000
O14 O 0.95394 0.37819 0.37697 1.00000
O15 O 0.09921 0.79410 0.41058 1.00000
O16 O 0.90079 0.20590 0.58942 1.00000
O17 O 0.38757 0.96349 0.65721 1.00000
O18 O 0.61243 0.03651 0.34279 1.00000
O19 O 0.23012 0.16993 0.78616 1.00000
O20 O 0.76988 0.83007 0.21384 1.00000
O21 O 0.28833 0.46915 0.01519 1.00000
O22 O 0.74548 0.79537 0.62493 1.00000
