Np(S3Br)2
Alexandria ALEXAlex-ID: agm005774831 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3211_spg2
Np(SBr)2 NpS3 S8Br
2023-07-09 19:21:35.986691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774831).
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 agm005774831
data_agm005774831
_cell_length_a 4.32870
_cell_length_b 9.57970
_cell_length_c 8.58939
_cell_angle_alpha 120.41525
_cell_angle_beta 82.67759
_cell_angle_gamma 95.29227
_cell_volume 304.49851
_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 0.00000 0.00000 0.00000 1.00000
S1 S 0.79377 0.61927 0.33430 1.00000
S2 S 0.20623 0.38073 0.66570 1.00000
S3 S 0.04349 0.69453 0.71492 1.00000
S4 S 0.89946 0.25749 0.49542 1.00000
S5 S 0.10054 0.74251 0.50458 1.00000
S6 S 0.95651 0.30547 0.28508 1.00000
Br1 Br 0.44421 0.90448 0.15220 1.00000
Br2 Br 0.55579 0.09552 0.84780 1.00000
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