Zn12Cu6Ge
Alexandria ALEXAlex-ID: agm006118904 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_76_spg148
Zn35Cu17 Zn8Cu5 Ge
2023-08-25 17:27:03.579957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118904).
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 agm006118904
data_agm006118904
_cell_length_a 6.68478
_cell_length_b 7.11889
_cell_length_c 7.11889
_cell_angle_alpha 69.32662
_cell_angle_beta 71.75948
_cell_angle_gamma 108.24052
_cell_volume 264.64422
_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
Zn1 Zn 0.51648 0.84738 0.27133 1.00000
Zn2 Zn 0.66910 0.88130 0.84738 1.00000
Zn3 Zn 0.78780 0.27133 0.88130 1.00000
Zn4 Zn 0.48352 0.15262 0.72867 1.00000
Zn5 Zn 0.33090 0.11870 0.15262 1.00000
Zn6 Zn 0.21220 0.72867 0.11870 1.00000
Zn7 Zn 0.26316 0.43411 0.62031 1.00000
Zn8 Zn 0.11653 0.37969 0.05442 1.00000
Zn9 Zn 0.17095 0.05442 0.56589 1.00000
Zn10 Zn 0.73684 0.56589 0.37969 1.00000
Zn11 Zn 0.88347 0.62031 0.94558 1.00000
Zn12 Zn 0.82905 0.94558 0.43411 1.00000
Cu1 Cu 0.42656 0.47376 0.21325 1.00000
Cu2 Cu 0.04720 0.68701 0.52624 1.00000
Cu3 Cu 0.36019 0.78675 0.68701 1.00000
Cu4 Cu 0.57344 0.52624 0.78675 1.00000
Cu5 Cu 0.95280 0.31299 0.47376 1.00000
Cu6 Cu 0.63981 0.21325 0.31299 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
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