Sr6H2Au3
Alexandria ALEXAlex-ID: agm003348044 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_7_spg139
Sr3Au2 Sr7Au3 SrH2
2022-02-02 16:53:42.360317
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003348044).
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 agm003348044
data_agm003348044
_cell_length_a 5.07892
_cell_length_b 5.07892
_cell_length_c 12.93389
_cell_angle_alpha 101.32311
_cell_angle_beta 101.32311
_cell_angle_gamma 90.00000
_cell_volume 320.51595
_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 0.08186 0.58186 0.16371 1.00000
Sr2 Sr 0.58186 0.08186 0.16371 1.00000
Sr3 Sr 0.91814 0.41814 0.83629 1.00000
Sr4 Sr 0.41814 0.91814 0.83629 1.00000
Sr5 Sr 0.70546 0.70546 0.41092 1.00000
Sr6 Sr 0.29454 0.29454 0.58908 1.00000
H1 H 0.39816 0.39816 0.79632 1.00000
H2 H 0.60184 0.60184 0.20368 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.83318 0.83318 0.66637 1.00000
Au3 Au 0.16682 0.16682 0.33363 1.00000
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