Np(SBr2)2
Alexandria ALEXAlex-ID: agm005995590 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3420_spg2
Np(SBr)2 NpBr5 S8Br
2023-10-16 08:33:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995590).
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 agm005995590
data_agm005995590
_cell_length_a 4.02988
_cell_length_b 7.84164
_cell_length_c 9.20919
_cell_angle_alpha 96.03430
_cell_angle_beta 103.21237
_cell_angle_gamma 83.53968
_cell_volume 280.56589
_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 0.20878 0.43113 0.49084 1.00000
S2 S 0.79122 0.56887 0.50916 1.00000
Br1 Br 0.16527 0.91966 0.28334 1.00000
Br2 Br 0.83473 0.08034 0.71666 1.00000
Br3 Br 0.51802 0.74815 0.92911 1.00000
Br4 Br 0.48198 0.25185 0.07089 1.00000
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