Y3PuC2
Alexandria ALEXAlex-ID: agm005688329 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_993_spg12
Y4C5 Pu Y2C
2023-08-07 09:33:14.271742
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688329).
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 agm005688329
data_agm005688329
_cell_length_a 3.54577
_cell_length_b 8.27819
_cell_length_c 9.58856
_cell_angle_alpha 88.20741
_cell_angle_beta 79.34493
_cell_angle_gamma 77.63355
_cell_volume 270.16830
_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
Y1 Y 0.06047 0.07433 0.80474 1.00000
Y2 Y 0.93953 0.92567 0.19526 1.00000
Y3 Y 0.69381 0.66760 0.94478 1.00000
Y4 Y 0.30619 0.33240 0.05522 1.00000
Y5 Y 0.81142 0.82877 0.54839 1.00000
Y6 Y 0.18858 0.17123 0.45161 1.00000
Pu1 Pu 0.44331 0.41529 0.69809 1.00000
Pu2 Pu 0.55669 0.58471 0.30191 1.00000
C1 C 0.87934 0.37275 0.86857 1.00000
C2 C 0.12066 0.62725 0.13143 1.00000
C3 C 0.62281 0.12608 0.62831 1.00000
C4 C 0.37719 0.87392 0.37169 1.00000
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