SnH4I3N
Alexandria ALEXAlex-ID: agm002153448 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4_2_spg146
H4IN SnI2
2018-06-06 07:13:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002153448).
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 agm002153448
data_agm002153448
_cell_length_a 6.36063
_cell_length_b 6.36323
_cell_length_c 6.35712
_cell_angle_alpha 97.66501
_cell_angle_beta 82.37951
_cell_angle_gamma 97.76762
_cell_volume 250.93415
_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 0.52569 0.62776 0.95427 1.00000
I2 I 0.37207 0.04498 0.52423 1.00000
I3 I 0.95511 0.47492 0.37177 1.00000
H1 H 0.89164 0.87384 0.00166 1.00000
H2 H 0.00182 0.11061 0.12472 1.00000
H3 H 0.12681 0.99849 0.89022 1.00000
H4 H 0.11783 0.88564 0.11797 1.00000
Sn1 Sn 0.48782 0.51238 0.48684 1.00000
N1 N 0.03423 0.96739 0.03333 1.00000
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