Pu2Np2S5
Alexandria ALEXAlex-ID: agm010056687 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_206_spg12
Np2S3 PuS
2024-05-15 18:39:23.765367
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010056687).
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 agm010056687
data_agm010056687
_cell_length_a 6.93256
_cell_length_b 6.93256
_cell_length_c 9.81540
_cell_angle_alpha 60.38630
_cell_angle_beta 60.38630
_cell_angle_gamma 33.22563
_cell_volume 221.46156
_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
Pu1 Pu 0.59517 0.59517 0.10803 1.00000
Pu2 Pu 0.40483 0.40483 0.89197 1.00000
Np1 Np 0.78979 0.78979 0.30168 1.00000
Np2 Np 0.21021 0.21021 0.69832 1.00000
S1 S 0.61451 0.61451 0.60996 1.00000
S2 S 0.38549 0.38549 0.39004 1.00000
S3 S 0.80068 0.80068 0.80409 1.00000
S4 S 0.19932 0.19932 0.19591 1.00000
S5 S 0.00000 0.00000 0.00000 1.00000
Get direct link