KSn2H7
Alexandria ALEXAlex-ID: agm006197673 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_812_spg8
KSn3H8 K4Sn23 KH7
2023-11-20 11:34:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197673).
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 agm006197673
data_agm006197673
_cell_length_a 5.37680
_cell_length_b 5.15812
_cell_length_c 9.67690
_cell_angle_alpha 123.92827
_cell_angle_beta 72.34053
_cell_angle_gamma 125.48619
_cell_volume 181.23810
_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 0.36445 0.88568 0.28131 1.00000
H2 H 0.49596 0.92162 0.82333 1.00000
H3 H 0.21395 0.03047 0.68489 1.00000
H4 H 0.90559 0.38828 0.42288 1.00000
H5 H 0.47372 0.57420 0.47458 1.00000
H6 H 0.74163 0.69658 0.24623 1.00000
H7 H 0.94421 0.36200 0.68131 1.00000
K1 K 0.07058 0.47795 0.98805 1.00000
Sn1 Sn 0.27152 0.69990 0.64634 1.00000
Sn2 Sn 0.75078 0.02071 0.21925 1.00000
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