NdY2(PuS2)3
Alexandria ALEXAlex-ID: agm034335067 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Y2PuS3 YPuS2 Nd2Pu3S5
2024-10-15 18:46:35.555955
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034335067).
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 agm034335067
data_agm034335067
_cell_length_a 8.89449
_cell_length_b 8.89449
_cell_length_c 7.92468
_cell_angle_alpha 76.51078
_cell_angle_beta 76.51078
_cell_angle_gamma 25.66104
_cell_volume 263.60881
_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
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.16433 0.16433 0.17226 1.00000
Y2 Y 0.83567 0.83567 0.82774 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
Pu2 Pu 0.83323 0.83323 0.33263 1.00000
Pu3 Pu 0.16677 0.16677 0.66737 1.00000
S1 S 0.67056 0.67056 0.91880 1.00000
S2 S 0.33250 0.33250 0.58338 1.00000
S3 S 0.32944 0.32944 0.08120 1.00000
S4 S 0.99967 0.99967 0.74273 1.00000
S5 S 0.00033 0.00033 0.25727 1.00000
S6 S 0.66750 0.66750 0.41662 1.00000
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