SnH6C
Alexandria ALEXAlex-ID: agm076149591 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_743_spg2
H4C SnH2
2025-06-26 19:32:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076149591).
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 agm076149591
data_agm076149591
_cell_length_a 3.62508
_cell_length_b 6.19433
_cell_length_c 6.07315
_cell_angle_alpha 93.00315
_cell_angle_beta 90.28538
_cell_angle_gamma 69.85479
_cell_volume 127.84108
_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
Sn1 Sn 0.13318 0.92041 0.85805 1.00000
H1 H 0.46741 0.20026 0.66988 1.00000
H2 H 0.43494 0.25957 0.96004 1.00000
H3 H 0.93893 0.31500 0.32613 1.00000
H4 H 0.20718 0.79863 0.11244 1.00000
H5 H 0.26104 0.70008 0.65492 1.00000
H6 H 0.79230 0.43517 0.33864 1.00000
C1 C 0.51501 0.12088 0.82990 1.00000
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