Ce2Y3PuS6
Alexandria ALEXAlex-ID: agm034808473 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Y2PuS3 Ce2YS3
2024-11-13 20:03:13.742424
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034808473).
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 agm034808473
data_agm034808473
_cell_length_a 8.85354
_cell_length_b 8.85354
_cell_length_c 7.93968
_cell_angle_alpha 76.99968
_cell_angle_beta 76.99968
_cell_angle_gamma 25.77003
_cell_volume 263.27122
_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
Ce1 Ce 0.83331 0.83331 0.83598 1.00000
Ce2 Ce 0.16669 0.16669 0.16402 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.16606 0.16606 0.66931 1.00000
Y3 Y 0.83394 0.83394 0.33069 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
S1 S 0.33503 0.33503 0.09008 1.00000
S2 S 0.66657 0.66657 0.42326 1.00000
S3 S 0.66497 0.66497 0.90992 1.00000
S4 S 0.99801 0.99801 0.25339 1.00000
S5 S 0.00199 0.00199 0.74661 1.00000
S6 S 0.33343 0.33343 0.57674 1.00000
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