Cu6GeAu12
Alexandria ALEXAlex-ID: agm006118907 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_76_spg148
Cu2Au5 Cu Ge
2023-08-25 17:26:54.657384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118907).
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 agm006118907
data_agm006118907
_cell_length_a 6.97111
_cell_length_b 7.54728
_cell_length_c 7.54728
_cell_angle_alpha 69.03429
_cell_angle_beta 72.06811
_cell_angle_gamma 107.93189
_cell_volume 311.28652
_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
Cu1 Cu 0.42058 0.46755 0.21763 1.00000
Cu2 Cu 0.04696 0.68517 0.53245 1.00000
Cu3 Cu 0.36179 0.78237 0.68517 1.00000
Cu4 Cu 0.57942 0.53245 0.78237 1.00000
Cu5 Cu 0.95304 0.31483 0.46755 1.00000
Cu6 Cu 0.63821 0.21763 0.31483 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.52259 0.85712 0.27433 1.00000
Au2 Au 0.66547 0.86855 0.85712 1.00000
Au3 Au 0.79692 0.27433 0.86855 1.00000
Au4 Au 0.47741 0.14288 0.72567 1.00000
Au5 Au 0.33453 0.13145 0.14288 1.00000
Au6 Au 0.20308 0.72567 0.13145 1.00000
Au7 Au 0.26590 0.43252 0.62106 1.00000
Au8 Au 0.11304 0.37894 0.05358 1.00000
Au9 Au 0.16662 0.05358 0.56748 1.00000
Au10 Au 0.73410 0.56748 0.37894 1.00000
Au11 Au 0.88696 0.62106 0.94642 1.00000
Au12 Au 0.83338 0.94642 0.43252 1.00000
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