YbH4I3O11
Alexandria ALEXAlex-ID: agm005253208 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D11_7_spg2
Yb(IO3)3 H2O
2024-10-19 05:37:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005253208).
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 agm005253208
data_agm005253208
_cell_length_a 7.10161
_cell_length_b 7.50186
_cell_length_c 10.95481
_cell_angle_alpha 94.05622
_cell_angle_beta 107.19665
_cell_angle_gamma 108.12752
_cell_volume 521.27800
_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
Yb1 Yb 0.59189 0.91675 0.78634 1.00000
Yb2 Yb 0.40811 0.08325 0.21366 1.00000
H1 H 0.76307 0.59158 0.72218 1.00000
H2 H 0.23693 0.40842 0.27782 1.00000
H3 H 0.73631 0.60545 0.86221 1.00000
H4 H 0.26369 0.39455 0.13779 1.00000
H5 H 0.29968 0.43446 0.62892 1.00000
H6 H 0.70032 0.56554 0.37108 1.00000
H7 H 0.35274 0.24614 0.61343 1.00000
H8 H 0.64726 0.75386 0.38657 1.00000
I1 I 0.19472 0.65843 0.93706 1.00000
I2 I 0.80528 0.34157 0.06294 1.00000
I3 I 0.20664 0.13778 0.83609 1.00000
I4 I 0.79336 0.86222 0.16391 1.00000
I5 I 0.75734 0.22842 0.55580 1.00000
I6 I 0.24266 0.77158 0.44420 1.00000
O1 O 0.36857 0.77687 0.10369 1.00000
O2 O 0.63143 0.22313 0.89631 1.00000
O3 O 0.14047 0.41222 0.97023 1.00000
O4 O 0.85953 0.58778 0.02977 1.00000
O5 O 0.40021 0.66353 0.86791 1.00000
O6 O 0.59979 0.33647 0.13209 1.00000
O7 O 0.20993 0.02898 0.98245 1.00000
O8 O 0.79007 0.97102 0.01755 1.00000
O9 O 0.91978 0.06783 0.75362 1.00000
O10 O 0.08022 0.93217 0.24638 1.00000
O11 O 0.24800 0.94386 0.74738 1.00000
O12 O 0.75200 0.05614 0.25262 1.00000
O13 O 0.88951 0.46144 0.65941 1.00000
O14 O 0.11049 0.53856 0.34059 1.00000
O15 O 0.60312 0.29743 0.41194 1.00000
O16 O 0.39688 0.70257 0.58806 1.00000
O17 O 0.54221 0.12272 0.62100 1.00000
O18 O 0.45779 0.87728 0.37900 1.00000
O19 O 0.73287 0.66941 0.78627 1.00000
O20 O 0.26713 0.33059 0.21373 1.00000
O21 O 0.24459 0.29575 0.62652 1.00000
O22 O 0.75541 0.70425 0.37348 1.00000
