Be2Sn2H5
Alexandria ALEXAlex-ID: agm007370342 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_624_spg2
SnH2 Sn BeH2
2024-02-08 22:13:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007370342).
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 agm007370342
data_agm007370342
_cell_length_a 2.70179
_cell_length_b 6.84103
_cell_length_c 8.35638
_cell_angle_alpha 95.51870
_cell_angle_beta 71.52431
_cell_angle_gamma 101.95359
_cell_volume 143.23601
_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
Be1 Be 0.50215 0.72240 0.34303 1.00000
Be2 Be 0.49783 0.27759 0.65691 1.00000
Sn1 Sn 0.18785 0.90595 0.76094 1.00000
Sn2 Sn 0.81213 0.09403 0.23914 1.00000
H1 H 0.99819 0.37286 0.70682 1.00000
H2 H 0.00176 0.62711 0.29316 1.00000
H3 H 0.63088 0.21001 0.48425 1.00000
H4 H 0.36932 0.79003 0.51572 1.00000
H5 H 0.99989 0.00002 0.00003 1.00000
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