Sm(Sn3H4)2
Alexandria ALEXAlex-ID: agm072973757 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_2366_spg1
SnH2 SmH3 Sn
2025-04-29 18:53:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072973757).
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 agm072973757
data_agm072973757
_cell_length_a 6.60142
_cell_length_b 6.57218
_cell_length_c 6.41501
_cell_angle_alpha 96.71373
_cell_angle_beta 104.20248
_cell_angle_gamma 106.88579
_cell_volume 252.81253
_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
Sm1 Sm 0.96360 0.94789 0.98078 1.00000
Sn1 Sn 0.62154 0.44134 0.84090 1.00000
Sn2 Sn 0.45560 0.97203 0.57074 1.00000
Sn3 Sn 0.98504 0.69287 0.52602 1.00000
Sn4 Sn 0.34242 0.58022 0.14617 1.00000
Sn5 Sn 0.59953 0.19754 0.22143 1.00000
Sn6 Sn 0.16244 0.33966 0.57876 1.00000
H1 H 0.64617 0.83057 0.70009 1.00000
H2 H 0.10821 0.11993 0.34581 1.00000
H3 H 0.67518 0.96397 0.10879 1.00000
H4 H 0.98469 0.13075 0.68621 1.00000
H5 H 0.14360 0.69244 0.97180 1.00000
H6 H 0.32104 0.05907 0.01931 1.00000
H7 H 0.90295 0.70459 0.22919 1.00000
H8 H 0.08800 0.32715 0.07399 1.00000
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