FeH2AuO6
Alexandria ALEXAlex-ID: agm007488162 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_231_spg2
FeHO2 Au2O3 Fe(H3O4)2 AuO4
2024-05-29 06:24:26.400262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007488162).
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 agm007488162
data_agm007488162
_cell_length_a 5.16616
_cell_length_b 5.43084
_cell_length_c 4.88159
_cell_angle_alpha 88.00646
_cell_angle_beta 100.05543
_cell_angle_gamma 113.61358
_cell_volume 123.47110
_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
Fe1 Fe 0.00000 0.50000 0.00000 1.00000
H1 H 0.72778 0.84262 0.87841 1.00000
H2 H 0.27222 0.15738 0.12159 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
O1 O 0.32860 0.82475 0.17113 1.00000
O2 O 0.67140 0.17525 0.82887 1.00000
O3 O 0.83221 0.26204 0.61356 1.00000
O4 O 0.81368 0.74078 0.78899 1.00000
O5 O 0.18632 0.25922 0.21101 1.00000
O6 O 0.16779 0.73796 0.38644 1.00000
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