Sn2(BH3)3
Alexandria ALEXAlex-ID: agm006192086 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1039_spg1
B2H5 BH9 Sn
2024-02-01 20:51:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006192086).
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 agm006192086
data_agm006192086
_cell_length_a 5.03245
_cell_length_b 25.82516
_cell_length_c 14.26498
_cell_angle_alpha 170.24644
_cell_angle_beta 148.79564
_cell_angle_gamma 30.84517
_cell_volume 160.13129
_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 0.83366 0.88208 0.25863 1.00000
Sn2 Sn 0.41523 0.46827 0.53466 1.00000
B1 B 0.25291 0.73645 0.39080 1.00000
B2 B 0.12893 0.06149 0.03437 1.00000
B3 B 0.88311 0.18441 0.46388 1.00000
H1 H 0.36338 0.80199 0.46183 1.00000
H2 H 0.11797 0.93497 0.05695 1.00000
H3 H 0.03542 0.87337 0.72551 1.00000
H4 H 0.15119 0.04372 0.92070 1.00000
H5 H 0.59546 0.56915 0.23657 1.00000
H6 H 0.53899 0.12576 0.31648 1.00000
H7 H 0.10634 0.30798 0.81197 1.00000
H8 H 0.83369 0.65051 0.11562 1.00000
H9 H 0.74373 0.35986 0.67205 1.00000
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