Pu3CrSi3
Alexandria ALEXAlex-ID: agm044520232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_231_spg12
Cr3Si Pu5Si3 PuSi
2024-11-28 08:01:43.761376
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044520232).
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 agm044520232
data_agm044520232
_cell_length_a 5.48333
_cell_length_b 5.48333
_cell_length_c 12.63783
_cell_angle_alpha 77.64519
_cell_angle_beta 102.35481
_cell_angle_gamma 134.65795
_cell_volume 262.91962
_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 0.54672 0.45328 0.38249 1.00000
Pu2 Pu 0.45328 0.54672 0.61751 1.00000
Pu3 Pu 0.22374 0.77626 0.80091 1.00000
Pu4 Pu 0.77626 0.22374 0.19909 1.00000
Pu5 Pu 0.40994 0.59006 0.10359 1.00000
Pu6 Pu 0.59006 0.40994 0.89641 1.00000
Cr1 Cr 0.74378 0.25622 0.58838 1.00000
Cr2 Cr 0.25622 0.74378 0.41162 1.00000
Si1 Si 0.87194 0.12806 0.44317 1.00000
Si2 Si 0.12806 0.87194 0.55683 1.00000
Si3 Si 0.11602 0.88398 0.05641 1.00000
Si4 Si 0.88398 0.11602 0.94359 1.00000
Si5 Si 0.91802 0.08198 0.76233 1.00000
Si6 Si 0.08198 0.91802 0.23767 1.00000
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