K3Pu3Ru2
Alexandria ALEXAlex-ID: agm012114103 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1803_spg2
K PuRu Pu
2024-06-04 13:24:00.707117
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012114103).
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
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# CIF generated by HEAS from Alexandria entry agm012114103
data_agm012114103
_cell_length_a 4.70393
_cell_length_b 9.73753
_cell_length_c 7.71303
_cell_angle_alpha 90.15693
_cell_angle_beta 123.24481
_cell_angle_gamma 109.52831
_cell_volume 270.61118
_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
K1 K 0.53788 0.69393 0.53350 1.00000
K2 K 0.50000 0.50000 0.00000 1.00000
K3 K 0.46212 0.30607 0.46650 1.00000
Pu1 Pu 0.45252 0.03292 0.84048 1.00000
Pu2 Pu 0.54748 0.96708 0.15952 1.00000
Pu3 Pu 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.90573 0.06132 0.63055 1.00000
Ru2 Ru 0.09427 0.93868 0.36945 1.00000
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