DyPuIr
Alexandria ALEXAlex-ID: agm005677733 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
Pu5Ir3 Dy5Ir3 Pu
2023-06-20 21:40:30.105888
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677733).
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 agm005677733
data_agm005677733
_cell_length_a 8.56090
_cell_length_b 8.56090
_cell_length_c 8.56090
_cell_angle_alpha 129.73877
_cell_angle_beta 114.13750
_cell_angle_gamma 87.23635
_cell_volume 419.46814
_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
Dy1 Dy 0.46103 0.24958 0.28855 1.00000
Dy2 Dy 0.53897 0.82751 0.78855 1.00000
Dy3 Dy 0.74997 0.67153 0.42156 1.00000
Dy4 Dy 0.25003 0.67159 0.92156 1.00000
Dy5 Dy 0.03914 0.82789 0.28875 1.00000
Dy6 Dy 0.96086 0.24961 0.78875 1.00000
Pu1 Pu 0.00000 0.99748 0.99748 1.00000
Pu2 Pu 0.50000 0.99748 0.49748 1.00000
Pu3 Pu 0.62057 0.49560 0.87524 1.00000
Pu4 Pu 0.37943 0.25467 0.87503 1.00000
Pu5 Pu 0.87964 0.25467 0.37524 1.00000
Pu6 Pu 0.12036 0.49560 0.37503 1.00000
Ir1 Ir 0.25031 0.23440 0.48409 1.00000
Ir2 Ir 0.74969 0.23378 0.98409 1.00000
Ir3 Ir 0.82948 0.57418 0.74482 1.00000
Ir4 Ir 0.17052 0.91535 0.74470 1.00000
Ir5 Ir 0.67065 0.91535 0.24482 1.00000
Ir6 Ir 0.32935 0.57418 0.24470 1.00000
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