Pu2Th(ZnSi)2
Alexandria ALEXAlex-ID: agm004547136 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_139_spg166
Pu5Si3 ThZnSi PuZn2 PuSi
2022-06-23 01:51:56.389412
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004547136).
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 agm004547136
data_agm004547136
_cell_length_a 4.02060
_cell_length_b 4.02060
_cell_length_c 9.52221
_cell_angle_alpha 77.81219
_cell_angle_beta 77.81219
_cell_angle_gamma 60.00000
_cell_volume 129.28438
_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 0.15114 0.15114 0.54658 1.00000
Pu2 Pu 0.84886 0.84886 0.45342 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.59003 0.59003 0.22991 1.00000
Zn2 Zn 0.40997 0.40997 0.77009 1.00000
Si1 Si 0.74458 0.74458 0.76626 1.00000
Si2 Si 0.25542 0.25542 0.23374 1.00000
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