PuZn2Ge
Alexandria ALEXAlex-ID: agm005751971 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7722_spg63
PuZnGe Pu3Ge5 Pu2Zn17
2023-07-13 19:02:26.010653
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751971).
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 agm005751971
data_agm005751971
_cell_length_a 4.26685
_cell_length_b 8.41505
_cell_length_c 8.95701
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.68620
_cell_volume 311.10058
_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 0.00000 0.50000 1.00000
Pu2 Pu 0.50000 0.00000 0.00000 1.00000
Pu3 Pu 0.69707 0.39414 0.25000 1.00000
Pu4 Pu 0.30293 0.60586 0.75000 1.00000
Zn1 Zn 0.10134 0.20268 0.75000 1.00000
Zn2 Zn 0.04797 0.09594 0.25000 1.00000
Zn3 Zn 0.89866 0.79732 0.25000 1.00000
Zn4 Zn 0.95203 0.90406 0.75000 1.00000
Zn5 Zn 0.31065 0.62129 0.39079 1.00000
Zn6 Zn 0.68935 0.37871 0.60921 1.00000
Zn7 Zn 0.68935 0.37871 0.89079 1.00000
Zn8 Zn 0.31065 0.62129 0.10921 1.00000
Ge1 Ge 0.85392 0.70783 0.52968 1.00000
Ge2 Ge 0.14608 0.29217 0.02968 1.00000
Ge3 Ge 0.85392 0.70783 0.97032 1.00000
Ge4 Ge 0.14608 0.29217 0.47032 1.00000
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