Pu4Ga(Si2Pd)2
Alexandria ALEXAlex-ID: agm020111939 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D4_13_spg12
Pu2Si2Pd Pu2Si3Pd Pu2Ga3Pd
2024-09-13 13:03:57.520475
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020111939).
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 agm020111939
data_agm020111939
_cell_length_a 8.02212
_cell_length_b 8.02212
_cell_length_c 6.72691
_cell_angle_alpha 77.09237
_cell_angle_beta 77.09237
_cell_angle_gamma 30.76562
_cell_volume 215.41855
_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 0.35439 0.35439 0.93561 1.00000
Pu2 Pu 0.64561 0.64561 0.06439 1.00000
Pu3 Pu 0.42320 0.42320 0.35556 1.00000
Pu4 Pu 0.57680 0.57680 0.64444 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.06091 0.06091 0.34738 1.00000
Si2 Si 0.93909 0.93909 0.65262 1.00000
Si3 Si 0.20145 0.20145 0.74764 1.00000
Si4 Si 0.79855 0.79855 0.25236 1.00000
Pd1 Pd 0.21770 0.21770 0.37387 1.00000
Pd2 Pd 0.78230 0.78230 0.62613 1.00000
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