H4Ru4Au
Alexandria ALEXAlex-ID: agm006512409 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_12_spg12
Au Ru H6Au
2024-03-03 22:44:12.064056
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006512409).
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 agm006512409
data_agm006512409
_cell_length_a 6.22839
_cell_length_b 6.22839
_cell_length_c 8.50472
_cell_angle_alpha 39.86077
_cell_angle_beta 39.86077
_cell_angle_gamma 26.43472
_cell_volume 90.33416
_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 0.67386 0.67386 0.50386 1.00000
H2 H 0.32614 0.32614 0.49614 1.00000
H3 H 0.79688 0.79688 0.88444 1.00000
H4 H 0.20312 0.20312 0.11556 1.00000
Ru1 Ru 0.83249 0.83249 0.63858 1.00000
Ru2 Ru 0.16751 0.16751 0.36142 1.00000
Ru3 Ru 0.56380 0.56380 0.21037 1.00000
Ru4 Ru 0.43620 0.43620 0.78963 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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