SnH2
Alexandria ALEXAlex-ID: agm071259079 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_8397_spg4
SnH2
2024-08-13 20:53:25.647415
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071259079).
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 agm071259079
data_agm071259079
_cell_length_a 7.73454
_cell_length_b 8.53445
_cell_length_c 9.79326
_cell_angle_alpha 89.60617
_cell_angle_beta 90.00427
_cell_angle_gamma 89.99716
_cell_volume 646.43809
_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 0.95367 0.82882 0.23048 1.00000
Sn2 Sn 0.04633 0.67194 0.73074 1.00000
Sn3 Sn 0.45365 0.17104 0.26946 1.00000
Sn4 Sn 0.54636 0.32807 0.76935 1.00000
Sn5 Sn 0.23541 0.90193 0.87111 1.00000
Sn6 Sn 0.26378 0.40139 0.12749 1.00000
Sn7 Sn 0.76385 0.59852 0.37252 1.00000
Sn8 Sn 0.73538 0.09808 0.62892 1.00000
Sn9 Sn 0.28896 0.88479 0.33289 1.00000
Sn10 Sn 0.78900 0.11513 0.16716 1.00000
Sn11 Sn 0.21270 0.38820 0.66468 1.00000
Sn12 Sn 0.71258 0.61192 0.83524 1.00000
H1 H 0.60077 0.96349 0.55219 1.00000
H2 H 0.13707 0.50243 0.24295 1.00000
H3 H 0.36279 0.00222 0.75443 1.00000
H4 H 0.89857 0.46456 0.45161 1.00000
H5 H 0.86831 0.17387 0.50325 1.00000
H6 H 0.62999 0.67427 0.49674 1.00000
H7 H 0.39845 0.53539 0.04844 1.00000
H8 H 0.10085 0.03648 0.94793 1.00000
H9 H 0.70617 0.62920 0.01103 1.00000
H10 H 0.20663 0.37142 0.48885 1.00000
H11 H 0.79781 0.13895 0.99172 1.00000
H12 H 0.29759 0.86126 0.50836 1.00000
H13 H 0.08043 0.24080 0.72820 1.00000
H14 H 0.92049 0.25985 0.23451 1.00000
H15 H 0.42047 0.73994 0.26579 1.00000
H16 H 0.58032 0.75910 0.77127 1.00000
H17 H 0.49745 0.25455 0.42765 1.00000
H18 H 0.99750 0.74530 0.07231 1.00000
H19 H 0.49917 0.24193 0.92694 1.00000
H20 H 0.99914 0.75806 0.57314 1.00000
H21 H 0.12989 0.32570 0.00325 1.00000
H22 H 0.36848 0.82611 0.99670 1.00000
H23 H 0.63713 0.49741 0.25710 1.00000
H24 H 0.86287 0.99783 0.74557 1.00000
