Y3(PuS2)2
Alexandria ALEXAlex-ID: agm005688356 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Y5PuS6 Y2PuS3 Pu
2023-06-29 02:17:36.050288
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688356).
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 agm005688356
data_agm005688356
_cell_length_a 3.85627
_cell_length_b 6.76377
_cell_length_c 8.78301
_cell_angle_alpha 74.89554
_cell_angle_beta 77.31857
_cell_angle_gamma 73.43711
_cell_volume 209.36744
_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 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.20332 0.39216 0.20119 1.00000
Y3 Y 0.79668 0.60784 0.79881 1.00000
Pu1 Pu 0.59548 0.21530 0.59374 1.00000
Pu2 Pu 0.40452 0.78470 0.40626 1.00000
S1 S 0.80411 0.09010 0.30168 1.00000
S2 S 0.19589 0.90990 0.69832 1.00000
S3 S 0.39626 0.30404 0.90343 1.00000
S4 S 0.60374 0.69596 0.09657 1.00000
Get direct link