Sr3H9I2
Alexandria ALEXAlex-ID: agm006200741 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1201_spg2
SrH10 SrHI SrH2
2024-02-02 13:12:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200741).
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 agm006200741
data_agm006200741
_cell_length_a 5.92775
_cell_length_b 4.37753
_cell_length_c 12.58812
_cell_angle_alpha 102.57632
_cell_angle_beta 57.79403
_cell_angle_gamma 105.59872
_cell_volume 265.09701
_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
I1 I 0.53943 0.65706 0.69800 1.00000
I2 I 0.46057 0.34294 0.30200 1.00000
Sr1 Sr 0.13365 0.65294 0.21625 1.00000
Sr2 Sr 0.00000 0.00000 0.00000 1.00000
Sr3 Sr 0.86635 0.34706 0.78375 1.00000
H1 H 0.75847 0.95611 0.45665 1.00000
H2 H 0.77843 0.01896 0.40001 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.22157 0.98104 0.59999 1.00000
H5 H 0.97746 0.91014 0.81265 1.00000
H6 H 0.02254 0.08986 0.18735 1.00000
H7 H 0.24153 0.04389 0.54335 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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