YPu2Se9
Alexandria ALEXAlex-ID: agm102006201 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_170_spg12
PuSe2 Y2Se3 Se
2025-05-21 07:07:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102006201).
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 agm102006201
data_agm102006201
_cell_length_a 4.09279
_cell_length_b 8.85889
_cell_length_c 9.27093
_cell_angle_alpha 64.45062
_cell_angle_beta 85.06722
_cell_angle_gamma 82.95067
_cell_volume 300.77370
_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
Y1 Y 0.01345 0.84505 0.13765 1.00000
Pu1 Pu 0.24623 0.26807 0.29360 1.00000
Pu2 Pu 0.86880 0.77393 0.60312 1.00000
Se1 Se 0.49277 0.01827 0.90502 1.00000
Se2 Se 0.95469 0.52510 0.44476 1.00000
Se3 Se 0.06012 0.47372 0.93253 1.00000
Se4 Se 0.66140 0.56186 0.20414 1.00000
Se5 Se 0.41042 0.91009 0.34469 1.00000
Se6 Se 0.34543 0.79951 0.83439 1.00000
Se7 Se 0.40532 0.48881 0.69513 1.00000
Se8 Se 0.74967 0.12641 0.51994 1.00000
Se9 Se 0.79170 0.20917 0.08503 1.00000
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