Pu4ZnSe8
Alexandria ALEXAlex-ID: agm097796748 · Space group: P3m1 (#156)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_175_spg12
PuSe2 Pu3Se4 ZnSe
2025-06-20 01:00:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097796748).
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 agm097796748
data_agm097796748
_cell_length_a 8.39552
_cell_length_b 8.39555
_cell_length_c 6.56403
_cell_angle_alpha 90.08380
_cell_angle_beta 89.91662
_cell_angle_gamma 120.00025
_cell_volume 400.67852
_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 0.98405 0.01595 0.99952 1.00000
Pu2 Pu 0.48684 0.51316 0.02487 1.00000
Pu3 Pu 0.49241 0.01594 0.99916 1.00000
Pu4 Pu 0.98406 0.50759 0.99916 1.00000
Zn1 Zn 0.15315 0.84686 0.39170 1.00000
Se1 Se 0.16376 0.35126 0.78656 1.00000
Se2 Se 0.64874 0.83624 0.78656 1.00000
Se3 Se 0.64863 0.35137 0.78642 1.00000
Se4 Se 0.15358 0.84642 0.76270 1.00000
Se5 Se 0.81994 0.18006 0.22576 1.00000
Se6 Se 0.31313 0.68687 0.24630 1.00000
Se7 Se 0.31321 0.16633 0.24658 1.00000
Se8 Se 0.83367 0.68679 0.24658 1.00000
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