Pu3Zn2Ni7
Alexandria ALEXAlex-ID: agm005617469 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
ZnNi PuZn2 PuNi2
2023-06-13 13:19:36.784227
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005617469).
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 agm005617469
data_agm005617469
_cell_length_a 5.10948
_cell_length_b 5.10948
_cell_length_c 8.47975
_cell_angle_alpha 72.46578
_cell_angle_beta 72.46578
_cell_angle_gamma 60.00004
_cell_volume 179.74443
_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 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.85949 0.85949 0.42152 1.00000
Pu3 Pu 0.14051 0.14051 0.57848 1.00000
Zn1 Zn 0.66684 0.66684 0.99947 1.00000
Zn2 Zn 0.33316 0.33316 0.00053 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.91719 0.41613 0.25055 1.00000
Ni3 Ni 0.41613 0.91719 0.25055 1.00000
Ni4 Ni 0.41613 0.41613 0.25055 1.00000
Ni5 Ni 0.08281 0.58387 0.74945 1.00000
Ni6 Ni 0.58387 0.58387 0.74945 1.00000
Ni7 Ni 0.58387 0.08281 0.74945 1.00000
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