Ac(Zn2Pd)4
Alexandria ALEXAlex-ID: agm003672271 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_67_spg139
Zn2Pd Ac(Zn2Pd)2
2022-04-21 08:47:51.647516
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672271).
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 agm003672271
data_agm003672271
_cell_length_a 5.50435
_cell_length_b 6.91172
_cell_length_c 6.91172
_cell_angle_alpha 80.87697
_cell_angle_beta 66.53495
_cell_angle_gamma 66.53495
_cell_volume 221.26041
_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 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 1.00000 0.35487 0.64513 1.00000
Zn2 Zn 0.00000 0.64513 0.35487 1.00000
Zn3 Zn 0.35487 0.64513 0.64513 1.00000
Zn4 Zn 0.64513 0.35487 0.35487 1.00000
Zn5 Zn 0.50000 0.77466 0.22534 1.00000
Zn6 Zn 0.50000 0.22534 0.77466 1.00000
Zn7 Zn 0.27466 0.22534 0.22534 1.00000
Zn8 Zn 0.72534 0.77466 0.77466 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pd2 Pd 0.50000 0.00000 0.50000 1.00000
Pd3 Pd 0.00000 0.50000 0.00000 1.00000
Pd4 Pd 0.50000 0.50000 0.00000 1.00000
Get direct link