Pu(Ga3Ni)3
Alexandria ALEXAlex-ID: agm006018979 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_320_spg12
Pu4Ga16Ni3 Ga7Ni3 Ga3Ni2
2023-08-10 04:58:38.099207
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006018979).
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 agm006018979
data_agm006018979
_cell_length_a 5.18000
_cell_length_b 6.62667
_cell_length_c 6.81512
_cell_angle_alpha 82.31062
_cell_angle_beta 67.66403
_cell_angle_gamma 69.38557
_cell_volume 202.52981
_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
Ga1 Ga 0.70217 0.78942 0.77901 1.00000
Ga2 Ga 0.29783 0.21058 0.22099 1.00000
Ga3 Ga 0.51882 0.21058 0.77901 1.00000
Ga4 Ga 0.48118 0.78942 0.22099 1.00000
Ga5 Ga 0.65210 0.33463 0.35796 1.00000
Ga6 Ga 0.34790 0.66537 0.64204 1.00000
Ga7 Ga 0.98994 0.66537 0.35796 1.00000
Ga8 Ga 0.01006 0.33463 0.64204 1.00000
Ga9 Ga 0.00000 0.50000 0.00000 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ni2 Ni 0.00000 0.00000 0.50000 1.00000
Ni3 Ni 0.50000 0.00000 0.50000 1.00000
Get direct link