PuZn3Cu
Alexandria ALEXAlex-ID: agm003718072 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4415_spg194
PuZn9Cu2 PuZn2 Cu
2022-04-30 00:38:27.911461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003718072).
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 agm003718072
data_agm003718072
_cell_length_a 5.28927
_cell_length_b 6.28821
_cell_length_c 6.28803
_cell_angle_alpha 120.00145
_cell_angle_beta 89.99986
_cell_angle_gamma 90.00090
_cell_volume 181.11799
_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
Pu1 Pu 0.74972 0.66683 0.33335 1.00000
Pu2 Pu 0.25028 0.33317 0.66669 1.00000
Zn1 Zn 0.75010 0.61535 0.80777 1.00000
Zn2 Zn 0.24991 0.80765 0.61541 1.00000
Zn3 Zn 0.24990 0.38465 0.19223 1.00000
Zn4 Zn 0.75009 0.19235 0.38459 1.00000
Zn5 Zn 0.24988 0.80753 0.19217 1.00000
Zn6 Zn 0.75012 0.19247 0.80783 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Cu2 Cu 0.50000 0.00000 0.00000 1.00000
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