U8Sn6H
Alexandria ALEXAlex-ID: agm072684591 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_113_spg148
U2SnH2 USn3 U2Sn
2024-10-06 13:59:35.469892
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072684591).
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 agm072684591
data_agm072684591
_cell_length_a 6.88532
_cell_length_b 7.14609
_cell_length_c 7.66870
_cell_angle_alpha 74.50340
_cell_angle_beta 72.45452
_cell_angle_gamma 72.93688
_cell_volume 337.25772
_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 0.74322 0.80128 0.78223 1.00000
U2 U 0.25678 0.19872 0.21777 1.00000
U3 U 0.05784 0.66087 0.94152 1.00000
U4 U 0.63304 0.96092 0.12513 1.00000
U5 U 0.93211 0.07782 0.64251 1.00000
U6 U 0.94216 0.33913 0.05848 1.00000
U7 U 0.36696 0.03908 0.87487 1.00000
U8 U 0.06789 0.92218 0.35749 1.00000
Sn1 Sn 0.84627 0.56118 0.38534 1.00000
Sn2 Sn 0.57597 0.39642 0.84310 1.00000
Sn3 Sn 0.40664 0.81004 0.56684 1.00000
Sn4 Sn 0.15373 0.43882 0.61466 1.00000
Sn5 Sn 0.42403 0.60358 0.15690 1.00000
Sn6 Sn 0.59336 0.18996 0.43316 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
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