LaCe(PuS2)2
Alexandria ALEXAlex-ID: agm033243740 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_760_spg74
La2PuS3 CePu3S4 Ce2PuS3
2025-01-19 09:18:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033243740).
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 agm033243740
data_agm033243740
_cell_length_a 8.05168
_cell_length_b 8.05168
_cell_length_c 8.05168
_cell_angle_alpha 120.04869
_cell_angle_beta 119.93226
_cell_angle_gamma 90.01653
_cell_volume 369.15265
_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
La1 La 0.50000 0.00000 0.00000 1.00000
La2 La 0.50000 0.50000 0.50000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.50000 0.00000 0.50000 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
Pu2 Pu 0.00000 0.50000 0.50000 1.00000
Pu3 Pu 0.00000 0.50000 0.00000 1.00000
Pu4 Pu 0.00000 0.00000 0.50000 1.00000
S1 S 0.24428 0.24977 0.50549 1.00000
S2 S 0.24428 0.73879 0.99451 1.00000
S3 S 0.75572 0.26121 0.00549 1.00000
S4 S 0.75572 0.75023 0.49451 1.00000
S5 S 0.24140 0.25256 0.98884 1.00000
S6 S 0.76372 0.25256 0.51116 1.00000
S7 S 0.23628 0.74744 0.48884 1.00000
S8 S 0.75860 0.74744 0.01116 1.00000
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