Pu7Zn2Tc3
Alexandria ALEXAlex-ID: agm101201769 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_62_spg12
Pu2Zn3Tc Pu Tc
2025-05-19 03:58:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101201769).
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 agm101201769
data_agm101201769
_cell_length_a 5.36323
_cell_length_b 5.39733
_cell_length_c 9.94772
_cell_angle_alpha 73.66885
_cell_angle_beta 73.54810
_cell_angle_gamma 62.85750
_cell_volume 241.82632
_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 0.34256 0.69344 0.47313 1.00000
Pu2 Pu 0.37502 0.75275 0.81717 1.00000
Pu3 Pu 0.74691 0.11874 0.68481 1.00000
Pu4 Pu 0.05842 0.30176 0.75646 1.00000
Pu5 Pu 0.23648 0.61109 0.18388 1.00000
Pu6 Pu 0.85952 0.26970 0.31717 1.00000
Pu7 Pu 0.71319 0.93068 0.24537 1.00000
Zn1 Zn 0.31484 0.16826 0.01225 1.00000
Zn2 Zn 0.81301 0.68211 0.99456 1.00000
Tc1 Tc 0.80090 0.19683 0.99897 1.00000
Tc2 Tc 0.36020 0.13105 0.49274 1.00000
Tc3 Tc 0.87894 0.64360 0.52348 1.00000
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