Pu6Ge5Sb
Alexandria ALEXAlex-ID: agm006136258 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
PuGe Pu4Sb3 Pu3Ge5
2023-08-27 20:11:35.894249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136258).
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 agm006136258
data_agm006136258
_cell_length_a 4.69490
_cell_length_b 8.23818
_cell_length_c 7.44951
_cell_angle_alpha 90.00266
_cell_angle_beta 108.98710
_cell_angle_gamma 90.00034
_cell_volume 272.45188
_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
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.66199 0.50002 0.33214 1.00000
Ge2 Ge 0.33015 0.00001 0.65475 1.00000
Ge3 Ge 0.00000 0.50000 0.00000 1.00000
Ge4 Ge 0.66985 0.99999 0.34525 1.00000
Ge5 Ge 0.33801 0.49998 0.66786 1.00000
Pu1 Pu 0.83203 0.74286 0.65744 1.00000
Pu2 Pu 0.83203 0.25713 0.65744 1.00000
Pu3 Pu 0.50000 0.25834 1.00000 1.00000
Pu4 Pu 0.50000 0.74166 0.00000 1.00000
Pu5 Pu 0.16797 0.74287 0.34256 1.00000
Pu6 Pu 0.16797 0.25714 0.34256 1.00000
Get direct link