Ac3Zn2Cu
Alexandria ALEXAlex-ID: agm020695388 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_315_spg62
Ac4Zn AcZn AcCu2
2025-04-13 21:43:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020695388).
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 agm020695388
data_agm020695388
_cell_length_a 4.40906
_cell_length_b 13.05411
_cell_length_c 12.52946
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 721.14929
_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 0.75000 0.13252 0.55237 1.00000
Ac2 Ac 0.25000 0.86748 0.44763 1.00000
Ac3 Ac 0.25000 0.63252 0.94763 1.00000
Ac4 Ac 0.75000 0.36748 0.05237 1.00000
Ac5 Ac 0.75000 0.80071 0.71671 1.00000
Ac6 Ac 0.25000 0.19929 0.28329 1.00000
Ac7 Ac 0.25000 0.30071 0.78329 1.00000
Ac8 Ac 0.75000 0.69929 0.21671 1.00000
Ac9 Ac 0.75000 0.06044 0.87463 1.00000
Ac10 Ac 0.25000 0.93956 0.12537 1.00000
Ac11 Ac 0.25000 0.56044 0.62537 1.00000
Ac12 Ac 0.75000 0.43956 0.37463 1.00000
Zn1 Zn 0.75000 0.82201 0.97528 1.00000
Zn2 Zn 0.25000 0.17799 0.02472 1.00000
Zn3 Zn 0.25000 0.32201 0.52472 1.00000
Zn4 Zn 0.75000 0.67799 0.47528 1.00000
Zn5 Zn 0.75000 0.49317 0.80892 1.00000
Zn6 Zn 0.25000 0.50683 0.19108 1.00000
Zn7 Zn 0.25000 0.99317 0.69108 1.00000
Zn8 Zn 0.75000 0.00683 0.30892 1.00000
Cu1 Cu 0.75000 0.37661 0.62455 1.00000
Cu2 Cu 0.25000 0.62339 0.37545 1.00000
Cu3 Cu 0.25000 0.87661 0.87545 1.00000
Cu4 Cu 0.75000 0.12339 0.12455 1.00000
