Au2SO6
Alexandria ALEXAlex-ID: agm005758991 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3101_spg7
SO12 Au2O3 AuSO4
2023-07-13 01:35:40.150717
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758991).
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 agm005758991
data_agm005758991
_cell_length_a 7.19148
_cell_length_b 4.65520
_cell_length_c 12.21965
_cell_angle_alpha 89.99980
_cell_angle_beta 139.70405
_cell_angle_gamma 90.00063
_cell_volume 264.57115
_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
Au1 Au 0.92732 0.91111 0.74390 1.00000
Au2 Au 0.45971 0.42277 0.63609 1.00000
Au3 Au 0.42732 0.58890 0.24391 1.00000
Au4 Au 0.95971 0.07722 0.13609 1.00000
S1 S 0.54515 0.58038 0.04665 1.00000
S2 S 0.04516 0.91962 0.54666 1.00000
O1 O 0.22105 0.74671 0.27897 1.00000
O2 O 0.14016 0.06308 0.69303 1.00000
O3 O 0.22447 0.56772 0.89448 1.00000
O4 O 0.16851 0.07209 0.50542 1.00000
O5 O 0.63682 0.88825 0.08915 1.00000
O6 O 0.17681 0.25329 0.11231 1.00000
O7 O 0.67680 0.24671 0.61230 1.00000
O8 O 0.13683 0.61175 0.58916 1.00000
O9 O 0.66851 0.42791 0.00542 1.00000
O10 O 0.72448 0.93228 0.39448 1.00000
O11 O 0.64016 0.43692 0.19303 1.00000
O12 O 0.72104 0.75330 0.77895 1.00000
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