SrH6(AuN)2
Alexandria ALEXAlex-ID: agm004575809 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_547_spg12
SrAu2 H3N
2022-06-23 20:00:23.168074
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004575809).
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 agm004575809
data_agm004575809
_cell_length_a 6.16074
_cell_length_b 6.19780
_cell_length_c 7.62994
_cell_angle_alpha 141.47325
_cell_angle_beta 88.85194
_cell_angle_gamma 74.35791
_cell_volume 161.27060
_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 0.50000 0.00000 0.50000 1.00000
H1 H 0.27430 0.81297 0.79389 1.00000
H2 H 0.92149 0.35664 0.27159 1.00000
H3 H 0.24752 0.51463 0.46552 1.00000
H4 H 0.07851 0.64336 0.72841 1.00000
H5 H 0.75248 0.48537 0.53448 1.00000
H6 H 0.72570 0.18703 0.20611 1.00000
Au1 Au 0.85863 0.38372 0.81658 1.00000
Au2 Au 0.14137 0.61628 0.18342 1.00000
N1 N 0.25193 0.56488 0.62999 1.00000
N2 N 0.74807 0.43512 0.37001 1.00000
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