CeY3(PuS3)2
Alexandria ALEXAlex-ID: agm034125694 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
CeY3(PuS3)2
2024-11-27 04:47:39.821447
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034125694).
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 agm034125694
data_agm034125694
_cell_length_a 8.84793
_cell_length_b 8.84793
_cell_length_c 7.92208
_cell_angle_alpha 76.54454
_cell_angle_beta 103.45546
_cell_angle_gamma 154.28741
_cell_volume 261.29647
_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 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.83328 0.16672 0.16755 1.00000
Y3 Y 0.16672 0.83328 0.83245 1.00000
Pu1 Pu 0.83381 0.16619 0.66782 1.00000
Pu2 Pu 0.16619 0.83381 0.33218 1.00000
S1 S 0.33103 0.66897 0.91835 1.00000
S2 S 0.66657 0.33343 0.58403 1.00000
S3 S 0.66897 0.33103 0.08165 1.00000
S4 S 0.99894 0.00106 0.25648 1.00000
S5 S 0.00106 0.99894 0.74352 1.00000
S6 S 0.33343 0.66657 0.41597 1.00000
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