InSn2H3
Alexandria ALEXAlex-ID: agm007376308 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2467_spg11
SnH2 In Sn
2024-08-14 01:30:01.993834
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007376308).
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 agm007376308
data_agm007376308
_cell_length_a 5.40450
_cell_length_b 6.67653
_cell_length_c 7.08214
_cell_angle_alpha 58.70586
_cell_angle_beta 90.09957
_cell_angle_gamma 89.89368
_cell_volume 218.36667
_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 0.25846 0.04976 0.62586 1.00000
In2 In 0.74154 0.95024 0.37414 1.00000
Sn1 Sn 0.74600 0.35682 0.55654 1.00000
Sn2 Sn 0.25400 0.64318 0.44346 1.00000
Sn3 Sn 0.81186 0.74159 0.95536 1.00000
Sn4 Sn 0.18814 0.25841 0.04464 1.00000
H1 H 0.75702 0.45248 0.25222 1.00000
H2 H 0.52311 0.24362 0.10148 1.00000
H3 H 0.22885 0.08203 0.91488 1.00000
H4 H 0.77115 0.91797 0.08512 1.00000
H5 H 0.47689 0.75638 0.89852 1.00000
H6 H 0.24298 0.54752 0.74778 1.00000
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