Pa3(AlZn2)2
Alexandria ALEXAlex-ID: agm005673223 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_52_spg156
Pa2Al3Zn PaZn2
2023-06-26 17:39:27.587329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673223).
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 agm005673223
data_agm005673223
_cell_length_a 4.64777
_cell_length_b 4.64777
_cell_length_c 18.95475
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 354.59961
_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
Pa1 Pa 0.33333 0.66667 0.25516 1.00000
Pa2 Pa 0.33333 0.66667 0.58929 1.00000
Pa3 Pa 0.33333 0.66667 0.92094 1.00000
Pa4 Pa 0.33333 0.66667 0.07819 1.00000
Pa5 Pa 0.33333 0.66667 0.41238 1.00000
Pa6 Pa 0.33333 0.66667 0.74405 1.00000
Al1 Al 0.00000 0.00000 0.16670 1.00000
Al2 Al 1.00000 1.00000 0.50069 1.00000
Al3 Al 0.00000 0.00000 0.83264 1.00000
Al4 Al 0.66667 0.33333 0.16669 1.00000
Zn1 Zn 0.66667 0.33333 0.50168 1.00000
Zn2 Zn 0.66667 0.33333 0.83161 1.00000
Zn3 Zn 0.66667 0.33333 0.00193 1.00000
Zn4 Zn 0.66667 0.33333 0.33142 1.00000
Zn5 Zn 0.66667 0.33333 0.66665 1.00000
Zn6 Zn 1.00000 1.00000 0.33508 1.00000
Zn7 Zn 1.00000 1.00000 0.66666 1.00000
Zn8 Zn 0.00000 0.00000 0.99824 1.00000
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