Y2PuP3
Alexandria ALEXAlex-ID: agm018961585 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_359_spg14
YPuP2 YP
2025-04-15 08:13:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018961585).
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 agm018961585
data_agm018961585
_cell_length_a 5.65957
_cell_length_b 8.00790
_cell_length_c 11.99691
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 543.71553
_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 0.25000 0.87474 0.74927 1.00000
Y2 Y 0.25000 0.37474 0.75073 1.00000
Y3 Y 0.25000 0.87590 0.41694 1.00000
Y4 Y 0.25000 0.37590 0.08306 1.00000
Y5 Y 0.75000 0.62410 0.91694 1.00000
Y6 Y 0.75000 0.12410 0.58306 1.00000
Y7 Y 0.75000 0.62526 0.24927 1.00000
Y8 Y 0.75000 0.12526 0.25073 1.00000
Pu1 Pu 0.25000 0.87465 0.08449 1.00000
Pu2 Pu 0.25000 0.37465 0.41551 1.00000
Pu3 Pu 0.75000 0.62535 0.58449 1.00000
Pu4 Pu 0.75000 0.12535 0.91551 1.00000
P1 P 0.25000 0.62149 0.58168 1.00000
P2 P 0.25000 0.12149 0.91832 1.00000
P3 P 0.25000 0.62832 0.91908 1.00000
P4 P 0.25000 0.12832 0.58092 1.00000
P5 P 0.25000 0.62498 0.24915 1.00000
P6 P 0.25000 0.12498 0.25085 1.00000
P7 P 0.75000 0.87502 0.74915 1.00000
P8 P 0.75000 0.37502 0.75085 1.00000
P9 P 0.75000 0.87168 0.41908 1.00000
P10 P 0.75000 0.37168 0.08092 1.00000
P11 P 0.75000 0.87851 0.08168 1.00000
P12 P 0.75000 0.37851 0.41832 1.00000
