U2(SnH3)3
Alexandria ALEXAlex-ID: agm006192201 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_502_spg2
U4H15 SnH2 Sn
2024-02-02 12:03:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006192201).
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 agm006192201
data_agm006192201
_cell_length_a 5.93269
_cell_length_b 5.84599
_cell_length_c 6.32686
_cell_angle_alpha 77.23132
_cell_angle_beta 87.90770
_cell_angle_gamma 130.48358
_cell_volume 157.90524
_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
U1 U 0.40715 0.74159 0.78867 1.00000
U2 U 0.59285 0.25841 0.21133 1.00000
Sn1 Sn 0.24295 0.51243 0.33889 1.00000
Sn2 Sn 0.00000 0.00000 0.00000 1.00000
Sn3 Sn 0.75705 0.48757 0.66111 1.00000
H1 H 0.73926 0.63080 0.33856 1.00000
H2 H 0.69442 0.03437 0.45030 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.30558 0.96563 0.54970 1.00000
H5 H 0.79356 0.84432 0.61886 1.00000
H6 H 0.20644 0.15568 0.38114 1.00000
H7 H 0.26074 0.36920 0.66144 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
Get direct link