Pu3Ge4Au7
Alexandria ALEXAlex-ID: agm005693741 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Pu3Ge4Au7
2023-06-29 19:44:58.158445
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693741).
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 agm005693741
data_agm005693741
_cell_length_a 4.46545
_cell_length_b 8.46511
_cell_length_c 8.63362
_cell_angle_alpha 68.04329
_cell_angle_beta 75.01252
_cell_angle_gamma 74.70695
_cell_volume 287.25839
_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 0.30735 0.19140 0.19389 1.00000
Pu2 Pu 0.69265 0.80860 0.80611 1.00000
Pu3 Pu 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.66926 0.45464 0.20684 1.00000
Ge2 Ge 0.33074 0.54536 0.79316 1.00000
Ge3 Ge 0.86819 0.91728 0.34634 1.00000
Ge4 Ge 0.13181 0.08272 0.65366 1.00000
Au1 Au 0.33272 0.80929 0.52527 1.00000
Au2 Au 0.49173 0.21193 0.80461 1.00000
Au3 Au 0.85352 0.38047 0.91249 1.00000
Au4 Au 0.66728 0.19071 0.47473 1.00000
Au5 Au 0.14648 0.61953 0.08751 1.00000
Au6 Au 1.00000 0.00000 0.00000 1.00000
Au7 Au 0.50827 0.78807 0.19539 1.00000
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