Cu2H7Au
Alexandria ALEXAlex-ID: agm006198525 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
Cu2Au5 CuH4 CuAu6
2023-11-04 20:20:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006198525).
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 agm006198525
data_agm006198525
_cell_length_a 4.87544
_cell_length_b 4.87543
_cell_length_c 4.81961
_cell_angle_alpha 120.31265
_cell_angle_beta 59.67718
_cell_angle_gamma 119.93741
_cell_volume 80.65366
_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
H1 H 0.06825 0.78152 0.23345 1.00000
H2 H 0.87822 0.92988 0.76002 1.00000
H3 H 0.39925 0.45114 0.76041 1.00000
H4 H 0.06858 0.25990 0.23248 1.00000
H5 H 0.47313 0.85569 0.49689 1.00000
H6 H 0.54721 0.26027 0.23324 1.00000
H7 H 0.87779 0.45143 0.76109 1.00000
Au1 Au 0.97327 0.35572 0.99674 1.00000
Cu1 Cu 0.33079 0.99839 0.92541 1.00000
Cu2 Cu 0.61591 0.71345 0.06844 1.00000
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