Ac3Zn7Cu4
Alexandria ALEXAlex-ID: agm005698676 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Ac2ZnCu3 AcZn3Cu2 AcZn4
2023-06-29 17:00:19.057853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005698676).
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 agm005698676
data_agm005698676
_cell_length_a 4.38444
_cell_length_b 8.40703
_cell_length_c 8.82176
_cell_angle_alpha 65.76445
_cell_angle_beta 75.61114
_cell_angle_gamma 74.88481
_cell_volume 282.53428
_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
Ac1 Ac 0.29701 0.21979 0.18619 1.00000
Ac2 Ac 0.70299 0.78021 0.81381 1.00000
Ac3 Ac 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.32687 0.83272 0.51354 1.00000
Zn2 Zn 0.50678 0.19055 0.79588 1.00000
Zn3 Zn 0.87986 0.34338 0.89690 1.00000
Zn4 Zn 0.67313 0.16728 0.48646 1.00000
Zn5 Zn 0.12014 0.65662 0.10310 1.00000
Zn6 Zn 0.00000 0.00000 0.00000 1.00000
Zn7 Zn 0.49322 0.80945 0.20412 1.00000
Cu1 Cu 0.64525 0.48432 0.22518 1.00000
Cu2 Cu 0.35475 0.51568 0.77482 1.00000
Cu3 Cu 0.87520 0.91732 0.33227 1.00000
Cu4 Cu 0.12480 0.08268 0.66773 1.00000
Get direct link