Sr6AgAu2N
Alexandria ALEXAlex-ID: agm004971017 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_315_spg14
Sr2N SrAg Sr3Au2
2022-07-29 04:11:01.933999
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004971017).
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 agm004971017
data_agm004971017
_cell_length_a 7.43059
_cell_length_b 8.17011
_cell_length_c 10.71936
_cell_angle_alpha 90.00000
_cell_angle_beta 86.53359
_cell_angle_gamma 90.00000
_cell_volume 649.56864
_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 0.29378 0.66065 0.05695 1.00000
Sr2 Sr 0.79378 0.83935 0.55695 1.00000
Sr3 Sr 0.70622 0.33935 0.94305 1.00000
Sr4 Sr 0.20622 0.16065 0.44305 1.00000
Sr5 Sr 0.35322 0.71060 0.43306 1.00000
Sr6 Sr 0.85322 0.78940 0.93306 1.00000
Sr7 Sr 0.64678 0.28940 0.56694 1.00000
Sr8 Sr 0.14678 0.21060 0.06694 1.00000
Sr9 Sr 0.86173 0.54181 0.22673 1.00000
Sr10 Sr 0.36173 0.95819 0.72673 1.00000
Sr11 Sr 0.13827 0.45819 0.77327 1.00000
Sr12 Sr 0.63827 0.04181 0.27327 1.00000
Ag1 Ag 0.50000 0.00000 0.00000 1.00000
Ag2 Ag 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.04471 0.89488 0.26100 1.00000
Au2 Au 0.54471 0.60512 0.76100 1.00000
Au3 Au 0.95529 0.10512 0.73900 1.00000
Au4 Au 0.45529 0.39488 0.23900 1.00000
N1 N 0.50000 0.00000 0.50000 1.00000
N2 N 0.00000 0.50000 0.00000 1.00000
