SrH4I3O11
Alexandria ALEXAlex-ID: agm006715674 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D11_7_spg2
Sr(IO3)2 H2O SrO12 I2O5
2025-01-13 10:41:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006715674).
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 agm006715674
data_agm006715674
_cell_length_a 7.37635
_cell_length_b 7.74933
_cell_length_c 11.03820
_cell_angle_alpha 78.12176
_cell_angle_beta 77.21509
_cell_angle_gamma 71.95118
_cell_volume 578.59504
_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
Sr1 Sr 0.27828 0.57554 0.78936 1.00000
Sr2 Sr 0.72172 0.42446 0.21064 1.00000
H1 H 0.85720 0.75818 0.42715 1.00000
H2 H 0.14280 0.24182 0.57285 1.00000
H3 H 0.87464 0.96090 0.39292 1.00000
H4 H 0.12536 0.03910 0.60708 1.00000
H5 H 0.35944 0.89114 0.87028 1.00000
H6 H 0.51287 0.08432 0.26566 1.00000
H7 H 0.48713 0.91568 0.73434 1.00000
H8 H 0.64056 0.10886 0.12972 1.00000
I1 I 0.66107 0.25221 0.58351 1.00000
I2 I 0.33893 0.74779 0.41649 1.00000
I3 I 0.11983 0.66101 0.16984 1.00000
I4 I 0.88017 0.33899 0.83016 1.00000
I5 I 0.24666 0.15083 0.06443 1.00000
I6 I 0.75334 0.84917 0.93557 1.00000
O1 O 0.05230 0.16927 0.61313 1.00000
O2 O 0.20155 0.27274 0.90634 1.00000
O3 O 0.00059 0.84031 0.86197 1.00000
O4 O 0.99941 0.15969 0.13803 1.00000
O5 O 0.67067 0.08525 0.97099 1.00000
O6 O 0.32933 0.91475 0.02901 1.00000
O7 O 0.79845 0.72726 0.09366 1.00000
O8 O 0.25998 0.53406 0.04233 1.00000
O9 O 0.98309 0.51380 0.73082 1.00000
O10 O 0.01691 0.48620 0.26918 1.00000
O11 O 0.66067 0.39354 0.74289 1.00000
O12 O 0.33933 0.60646 0.25711 1.00000
O13 O 0.59749 0.63236 0.40137 1.00000
O14 O 0.40251 0.36764 0.59863 1.00000
O15 O 0.27724 0.80632 0.57835 1.00000
O16 O 0.72276 0.19368 0.42165 1.00000
O17 O 0.32531 0.97138 0.32395 1.00000
O18 O 0.67469 0.02862 0.67605 1.00000
O19 O 0.58638 0.16410 0.20821 1.00000
O20 O 0.41362 0.83590 0.79179 1.00000
O21 O 0.74002 0.46594 0.95767 1.00000
O22 O 0.94770 0.83073 0.38687 1.00000
