Zn2Cu11
Alexandria ALEXAlex-ID: agm017808134 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B11_6_spg2
Zn8Cu5 Cu
2025-03-02 09:06:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017808134).
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 agm017808134
data_agm017808134
_cell_length_a 4.48010
_cell_length_b 5.71280
_cell_length_c 6.86369
_cell_angle_alpha 94.80060
_cell_angle_beta 108.05096
_cell_angle_gamma 104.58461
_cell_volume 159.12493
_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 0.34631 0.69199 0.23141 1.00000
Zn2 Zn 0.65369 0.30801 0.76859 1.00000
Cu1 Cu 0.18839 0.38192 0.46040 1.00000
Cu2 Cu 0.81161 0.61808 0.53960 1.00000
Cu3 Cu 0.96199 0.92511 0.30722 1.00000
Cu4 Cu 0.03801 0.07489 0.69278 1.00000
Cu5 Cu 0.42078 0.84400 0.61499 1.00000
Cu6 Cu 0.73030 0.45978 0.15489 1.00000
Cu7 Cu 0.26970 0.54022 0.84511 1.00000
Cu8 Cu 0.57922 0.15600 0.38501 1.00000
Cu9 Cu 0.50000 0.00000 0.00000 1.00000
Cu10 Cu 0.11710 0.22885 0.07750 1.00000
Cu11 Cu 0.88290 0.77115 0.92250 1.00000
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