Pu3Cd2Cu7
Alexandria ALEXAlex-ID: agm024394746 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
PuCd2 Cu PuCu2
2025-05-16 02:08:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024394746).
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 agm024394746
data_agm024394746
_cell_length_a 9.02547
_cell_length_b 9.02547
_cell_length_c 9.02547
_cell_angle_alpha 34.83991
_cell_angle_beta 34.83991
_cell_angle_gamma 34.83991
_cell_volume 214.18571
_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 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.14442 0.14442 0.14442 1.00000
Pu3 Pu 0.85558 0.85558 0.85558 1.00000
Cd1 Cd 0.33163 0.33163 0.33163 1.00000
Cd2 Cd 0.66837 0.66837 0.66837 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Cu2 Cu 0.09101 0.58585 0.58585 1.00000
Cu3 Cu 0.58585 0.58585 0.09101 1.00000
Cu4 Cu 0.58585 0.09101 0.58585 1.00000
Cu5 Cu 0.90899 0.41415 0.41415 1.00000
Cu6 Cu 0.41415 0.90899 0.41415 1.00000
Cu7 Cu 0.41415 0.41415 0.90899 1.00000
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