HfSn2H7
Alexandria ALEXAlex-ID: agm006197657 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
SnH2 Hf4H15 Sn
2023-12-10 11:55:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197657).
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 agm006197657
data_agm006197657
_cell_length_a 5.04237
_cell_length_b 4.79751
_cell_length_c 6.92493
_cell_angle_alpha 110.34538
_cell_angle_beta 71.56779
_cell_angle_gamma 118.52917
_cell_volume 135.68552
_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 0.15589 0.76298 0.24198 1.00000
H2 H 0.79889 0.97420 0.90206 1.00000
H3 H 0.26749 0.31576 0.74756 1.00000
H4 H 0.14767 0.24407 0.09127 1.00000
H5 H 0.47269 0.89737 0.49679 1.00000
H6 H 0.67996 0.27105 0.24641 1.00000
H7 H 0.79042 0.33521 0.75188 1.00000
Hf1 Hf 0.97323 0.43231 0.99679 1.00000
Sn1 Sn 0.36074 0.00711 0.79840 1.00000
Sn2 Sn 0.58541 0.81733 0.19502 1.00000
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