Pu3PaIr2
Alexandria ALEXAlex-ID: agm003423218 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_855_spg65
PuPa2Ir3 Pu5Ir3 Pu
2022-02-13 11:34:59.088428
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003423218).
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 agm003423218
data_agm003423218
_cell_length_a 5.16037
_cell_length_b 7.01718
_cell_length_c 8.26937
_cell_angle_alpha 115.10560
_cell_angle_beta 108.18084
_cell_angle_gamma 90.00000
_cell_volume 254.54945
_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 0.50000 0.25000 0.00000 1.00000
Pu2 Pu 0.50000 0.75000 0.00000 1.00000
Pu3 Pu 0.81563 0.06563 0.63127 1.00000
Pu4 Pu 0.18437 0.43437 0.36873 1.00000
Pu5 Pu 0.18437 0.93437 0.36873 1.00000
Pu6 Pu 0.81563 0.56563 0.63127 1.00000
Pa1 Pa 0.00000 0.50000 0.00000 1.00000
Pa2 Pa 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.34709 0.34708 0.69416 1.00000
Ir2 Ir 0.65293 0.15292 0.30584 1.00000
Ir3 Ir 0.34707 0.84708 0.69416 1.00000
Ir4 Ir 0.65291 0.65292 0.30584 1.00000
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