SrHI2O
Alexandria ALEXAlex-ID: agm007322582 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1539_spg11
SrHIO I
2024-03-16 11:29:10.462178
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007322582).
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 agm007322582
data_agm007322582
_cell_length_a 3.64642
_cell_length_b 7.93550
_cell_length_c 11.43608
_cell_angle_alpha 67.88161
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 306.56367
_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 0.25000 0.78419 0.25754 1.00000
Sr2 Sr 0.75000 0.21581 0.74246 1.00000
H1 H 0.25000 0.96729 0.67577 1.00000
H2 H 0.75000 0.03271 0.32423 1.00000
I1 I 0.75000 0.75791 0.99892 1.00000
I2 I 0.75000 0.36883 0.38483 1.00000
I3 I 0.25000 0.24209 0.00108 1.00000
I4 I 0.25000 0.63117 0.61517 1.00000
O1 O 0.25000 0.07388 0.69821 1.00000
O2 O 0.75000 0.92612 0.30179 1.00000
Get direct link