Pu2ZnH6Au
Alexandria ALEXAlex-ID: agm007542007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_514_spg164
PuH3 ZnAu
2024-05-29 08:01:09.410099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007542007).
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 agm007542007
data_agm007542007
_cell_length_a 5.27498
_cell_length_b 5.27498
_cell_length_c 5.80091
_cell_angle_alpha 87.13751
_cell_angle_beta 87.13751
_cell_angle_gamma 48.17098
_cell_volume 120.09467
_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 0.33812 0.23771 0.23970 1.00000
Pu2 Pu 0.76229 0.66188 0.76030 1.00000
Zn1 Zn 0.05005 0.94995 0.50000 1.00000
H1 H 0.91787 0.34756 0.44950 1.00000
H2 H 0.31043 0.20997 0.86203 1.00000
H3 H 0.18231 0.55225 0.55036 1.00000
H4 H 0.65244 0.08213 0.55050 1.00000
H5 H 0.79003 0.68957 0.13797 1.00000
H6 H 0.44775 0.81769 0.44964 1.00000
Au1 Au 0.05027 0.94973 0.00000 1.00000
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