Np(S2I)4
Alexandria ALEXAlex-ID: agm098028575 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1375_spg1
S5I3 NpS3 I
2025-06-22 18:09:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098028575).
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 agm098028575
data_agm098028575
_cell_length_a 6.26237
_cell_length_b 12.38723
_cell_length_c 8.23899
_cell_angle_alpha 111.38919
_cell_angle_beta 86.21869
_cell_angle_gamma 115.16831
_cell_volume 535.58571
_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
Np1 Np 0.44833 0.81915 0.97116 1.00000
S1 S 0.44530 0.99062 0.83400 1.00000
S2 S 0.41901 0.33166 0.46402 1.00000
S3 S 0.49551 0.79929 0.43679 1.00000
S4 S 0.31317 0.57922 0.69747 1.00000
S5 S 0.63434 0.07380 0.07126 1.00000
S6 S 0.56311 0.50339 0.65834 1.00000
S7 S 0.69039 0.92293 0.67117 1.00000
S8 S 0.47672 0.91600 0.31736 1.00000
I1 I 0.91816 0.81218 0.01085 1.00000
I2 I 0.13492 0.17360 0.58285 1.00000
I3 I 0.85988 0.53599 0.29539 1.00000
I4 I 0.10116 0.54218 0.98935 1.00000
Get direct link