In2Sn2H7
Alexandria ALEXAlex-ID: agm006328147 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_258_spg12
SnH2 In InH2
2024-08-07 22:58:44.382711
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006328147).
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 agm006328147
data_agm006328147
_cell_length_a 5.93905
_cell_length_b 5.93905
_cell_length_c 6.01915
_cell_angle_alpha 77.15007
_cell_angle_beta 77.15007
_cell_angle_gamma 121.00487
_cell_volume 162.35520
_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
In1 In 0.68477 0.31523 0.50000 1.00000
In2 In 0.31523 0.68477 0.50000 1.00000
Sn1 Sn 0.15608 0.15608 0.23047 1.00000
Sn2 Sn 0.84392 0.84392 0.76953 1.00000
H1 H 0.40079 0.03609 0.19223 1.00000
H2 H 0.96391 0.59921 0.80777 1.00000
H3 H 0.59921 0.96391 0.80777 1.00000
H4 H 0.03609 0.40079 0.19223 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
H6 H 0.54274 0.54274 0.71800 1.00000
H7 H 0.45726 0.45726 0.28200 1.00000
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