Y2(PuCr)3
Alexandria ALEXAlex-ID: agm010053617 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
Y Pu Cr
2024-03-25 07:28:57.918052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010053617).
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 agm010053617
data_agm010053617
_cell_length_a 7.43794
_cell_length_b 7.43794
_cell_length_c 11.55287
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 146.36518
_cell_volume 354.01785
_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 0.71152 0.28848 0.10344 1.00000
Y2 Y 0.28848 0.71152 0.60344 1.00000
Y3 Y 0.71152 0.28848 0.39656 1.00000
Y4 Y 0.28848 0.71152 0.89656 1.00000
Pu1 Pu 0.56849 0.43151 0.61772 1.00000
Pu2 Pu 0.43151 0.56849 0.11772 1.00000
Pu3 Pu 0.56849 0.43151 0.88228 1.00000
Pu4 Pu 0.43151 0.56849 0.38228 1.00000
Pu5 Pu 0.92784 0.07216 0.75000 1.00000
Pu6 Pu 0.07216 0.92784 0.25000 1.00000
Cr1 Cr 0.91517 0.08483 0.47345 1.00000
Cr2 Cr 0.08483 0.91517 0.97345 1.00000
Cr3 Cr 0.91517 0.08483 0.02655 1.00000
Cr4 Cr 0.08483 0.91517 0.52655 1.00000
Cr5 Cr 0.10854 0.89146 0.75000 1.00000
Cr6 Cr 0.89146 0.10854 0.25000 1.00000
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