Sn2H7N
Alexandria ALEXAlex-ID: agm006197653 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1311_spg38
H9N H3N Sn
2023-11-25 04:06:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197653).
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
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# CIF generated by HEAS from Alexandria entry agm006197653
data_agm006197653
_cell_length_a 3.98936
_cell_length_b 3.98933
_cell_length_c 10.35992
_cell_angle_alpha 112.92288
_cell_angle_beta 67.05904
_cell_angle_gamma 90.52730
_cell_volume 137.85449
_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
H1 H 0.17112 0.58264 0.26409 1.00000
H2 H 0.70798 0.04689 0.72953 1.00000
H3 H 0.20081 0.55388 0.72949 1.00000
H4 H 0.24543 0.34514 0.99698 1.00000
H5 H 0.44632 0.82860 0.49679 1.00000
H6 H 0.66402 0.08998 0.26408 1.00000
H7 H 0.96197 0.62802 0.99674 1.00000
Sn1 Sn 0.19523 0.03359 0.72571 1.00000
Sn2 Sn 0.65071 0.57728 0.26793 1.00000
N1 N 0.98880 0.37138 0.99683 1.00000
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