Pu3ZnCo3
Alexandria ALEXAlex-ID: agm005986409 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_621_spg63
PuZn2 Pu PuCo2
2023-08-07 19:51:23.822601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005986409).
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 agm005986409
data_agm005986409
_cell_length_a 4.21781
_cell_length_b 5.13043
_cell_length_c 12.81763
_cell_angle_alpha 90.05510
_cell_angle_beta 89.90257
_cell_angle_gamma 114.27956
_cell_volume 252.82952
_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 0.20181 0.40336 0.89337 1.00000
Pu2 Pu 0.79819 0.59664 0.10663 1.00000
Pu3 Pu 0.20148 0.40330 0.60649 1.00000
Pu4 Pu 0.79852 0.59670 0.39351 1.00000
Pu5 Pu 0.49005 0.97959 0.74992 1.00000
Pu6 Pu 0.50995 0.02041 0.25008 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
Co1 Co 0.91187 0.82332 0.91332 1.00000
Co2 Co 0.08813 0.17668 0.08668 1.00000
Co3 Co 0.91112 0.82335 0.58655 1.00000
Co4 Co 0.08888 0.17665 0.41345 1.00000
Co5 Co 0.78100 0.56208 0.74994 1.00000
Co6 Co 0.21900 0.43792 0.25006 1.00000
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