AgH6Au
Alexandria ALEXAlex-ID: agm071004154 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_2022_spg1
H6Au Ag
2025-05-29 17:45:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071004154).
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 agm071004154
data_agm071004154
_cell_length_a 3.71615
_cell_length_b 6.41084
_cell_length_c 14.19931
_cell_angle_alpha 88.70076
_cell_angle_beta 83.22621
_cell_angle_gamma 93.69349
_cell_volume 335.06378
_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
Ag1 Ag 0.48923 0.92250 0.86726 1.00000
Ag2 Ag 0.98515 0.54169 0.58333 1.00000
Ag3 Ag 0.73441 0.18803 0.46671 1.00000
Ag4 Ag 0.93983 0.41771 0.15953 1.00000
H1 H 0.55283 0.02911 0.56717 1.00000
H2 H 0.88326 0.70587 0.12184 1.00000
H3 H 0.79173 0.16999 0.88415 1.00000
H4 H 0.22770 0.65768 0.41308 1.00000
H5 H 0.01547 0.74629 0.88103 1.00000
H6 H 0.05018 0.14867 0.10363 1.00000
H7 H 0.49766 0.62256 0.58372 1.00000
H8 H 0.33267 0.10718 0.40521 1.00000
H9 H 0.33368 0.94074 0.21750 1.00000
H10 H 0.79325 0.82882 0.33089 1.00000
H11 H 0.49184 0.51163 0.79464 1.00000
H12 H 0.97933 0.31562 0.74629 1.00000
H13 H 0.98889 0.82135 0.66544 1.00000
H14 H 0.44068 0.72208 0.00162 1.00000
H15 H 0.85714 0.29529 0.31444 1.00000
H16 H 0.89969 0.43275 0.98631 1.00000
H17 H 0.46605 0.89930 0.17940 1.00000
H18 H 0.83972 0.76352 0.28862 1.00000
H19 H 0.05782 0.26341 0.70225 1.00000
H20 H 0.49584 0.42232 0.82998 1.00000
H21 H 0.40745 0.45517 0.21391 1.00000
H22 H 0.47751 0.02340 0.74245 1.00000
H23 H 0.25530 0.76485 0.43340 1.00000
H24 H 0.02060 0.28026 0.54602 1.00000
Au1 Au 0.35385 0.28865 0.31203 1.00000
Au2 Au 0.91174 0.16209 0.99495 1.00000
Au3 Au 0.93864 0.71685 0.00122 1.00000
Au4 Au 0.49083 0.83462 0.66199 1.00000
