YH11(IO3)2
Alexandria ALEXAlex-ID: agm006700532 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D11_8_spg2
YH11(IO3)2
2024-09-26 06:45:38.082691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006700532).
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 agm006700532
data_agm006700532
_cell_length_a 8.12003
_cell_length_b 8.96347
_cell_length_c 9.27610
_cell_angle_alpha 95.07176
_cell_angle_beta 115.37930
_cell_angle_gamma 102.08611
_cell_volume 584.21653
_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
Y1 Y 0.12510 0.16273 0.67664 1.00000
Y2 Y 0.87490 0.83727 0.32336 1.00000
H1 H 0.94643 0.16829 0.32965 1.00000
H2 H 0.05357 0.83171 0.67035 1.00000
H3 H 0.92539 0.15293 0.88928 1.00000
H4 H 0.07461 0.84707 0.11072 1.00000
H5 H 0.84729 0.98264 0.78099 1.00000
H6 H 0.15271 0.01736 0.21901 1.00000
H7 H 0.53315 0.15919 0.89686 1.00000
H8 H 0.46685 0.84081 0.10314 1.00000
H9 H 0.42193 0.98835 0.79121 1.00000
H10 H 0.57807 0.01165 0.20879 1.00000
H11 H 0.39406 0.45536 0.65493 1.00000
H12 H 0.60594 0.54464 0.34507 1.00000
H13 H 0.36899 0.31406 0.52630 1.00000
H14 H 0.63101 0.68594 0.47370 1.00000
H15 H 0.81416 0.32418 0.53210 1.00000
H16 H 0.18584 0.67582 0.46790 1.00000
H17 H 0.97006 0.44533 0.69459 1.00000
H18 H 0.02994 0.55467 0.30541 1.00000
H19 H 0.33916 0.32489 0.03412 1.00000
H20 H 0.66084 0.67511 0.96588 1.00000
H21 H 0.25735 0.45360 0.94137 1.00000
H22 H 0.74265 0.54640 0.05863 1.00000
I1 I 0.13618 0.68919 0.91561 1.00000
I2 I 0.86382 0.31081 0.08439 1.00000
I3 I 0.53121 0.75463 0.68985 1.00000
I4 I 0.46879 0.24537 0.31015 1.00000
O1 O 0.96868 0.09680 0.40603 1.00000
O2 O 0.03132 0.90320 0.59397 1.00000
O3 O 0.94507 0.08220 0.81321 1.00000
O4 O 0.05493 0.91780 0.18679 1.00000
O5 O 0.40466 0.08955 0.82272 1.00000
O6 O 0.59534 0.91045 0.17728 1.00000
O7 O 0.33911 0.34182 0.61625 1.00000
O8 O 0.66089 0.65818 0.38375 1.00000
O9 O 0.94469 0.34730 0.62109 1.00000
O10 O 0.05531 0.65270 0.37891 1.00000
O11 O 0.28648 0.35305 0.92573 1.00000
O12 O 0.71352 0.64695 0.07427 1.00000
