Hf4Sn3H4
Alexandria ALEXAlex-ID: agm003378069 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_3_spg71
HfSn2 Hf5Sn4 HfH2
2022-02-09 03:08:15.489853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003378069).
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 agm003378069
data_agm003378069
_cell_length_a 3.18709
_cell_length_b 7.63870
_cell_length_c 8.54897
_cell_angle_alpha 116.53609
_cell_angle_beta 100.74290
_cell_angle_gamma 90.00000
_cell_volume 182.11485
_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
Hf1 Hf 0.18558 0.68558 0.37115 1.00000
Hf2 Hf 0.81442 0.31442 0.62885 1.00000
Hf3 Hf 0.50000 0.80525 1.00000 1.00000
Hf4 Hf 0.50000 0.19475 0.00000 1.00000
Sn1 Sn 0.14477 0.14477 0.28954 1.00000
Sn2 Sn 0.85523 0.85523 0.71046 1.00000
Sn3 Sn 0.00000 0.50000 0.00000 1.00000
H1 H 0.35739 0.21040 0.71477 1.00000
H2 H 0.64261 0.49563 0.28523 1.00000
H3 H 0.64261 0.78960 0.28523 1.00000
H4 H 0.35739 0.50437 0.71477 1.00000
Get direct link