Pu3Si4Au7
Alexandria ALEXAlex-ID: agm005696508 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Pu(SiAu2)2 PuAu2 Pu(SiAu)2
2023-06-29 18:33:30.018393
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696508).
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 agm005696508
data_agm005696508
_cell_length_a 4.35089
_cell_length_b 8.34916
_cell_length_c 8.49421
_cell_angle_alpha 68.16556
_cell_angle_beta 75.16070
_cell_angle_gamma 74.89680
_cell_volume 272.13570
_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 0.31061 0.18669 0.19209 1.00000
Pu2 Pu 0.68939 0.81331 0.80791 1.00000
Pu3 Pu 0.00000 0.50000 0.50000 1.00000
Si1 Si 0.66763 0.45143 0.21330 1.00000
Si2 Si 0.33237 0.54857 0.78670 1.00000
Si3 Si 0.87538 0.90941 0.33982 1.00000
Si4 Si 0.12462 0.09059 0.66018 1.00000
Au1 Au 0.32382 0.82053 0.53182 1.00000
Au2 Au 0.49190 0.22786 0.78833 1.00000
Au3 Au 0.84563 0.39393 0.91481 1.00000
Au4 Au 0.67618 0.17947 0.46818 1.00000
Au5 Au 0.15437 0.60607 0.08519 1.00000
Au6 Au 0.00000 0.00000 0.00000 1.00000
Au7 Au 0.50810 0.77214 0.21167 1.00000
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