SrHfH6
Alexandria ALEXAlex-ID: agm080388381 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_41_spg38
SrHfH5 SrH10 Hf4H15
2025-06-26 12:29:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080388381).
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 agm080388381
data_agm080388381
_cell_length_a 3.40229
_cell_length_b 3.90176
_cell_length_c 5.44479
_cell_angle_alpha 88.44810
_cell_angle_beta 89.99997
_cell_angle_gamma 89.99989
_cell_volume 72.25273
_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
Sr1 Sr 0.93750 0.01290 0.05731 1.00000
Hf1 Hf 0.43747 0.47179 0.52271 1.00000
H1 H 0.43751 0.01036 0.36639 1.00000
H2 H 0.43750 0.04484 0.74184 1.00000
H3 H 0.93751 0.53408 0.76178 1.00000
H4 H 0.43752 0.50149 0.15776 1.00000
H5 H 0.93750 0.21884 0.47565 1.00000
H6 H 0.93749 0.70570 0.41657 1.00000
Get direct link