Np4S3F7
Alexandria ALEXAlex-ID: agm005697228 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
Np4F15 Np2S3 NpF3
2023-06-29 16:39:42.651226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697228).
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 agm005697228
data_agm005697228
_cell_length_a 3.84227
_cell_length_b 7.89546
_cell_length_c 8.16471
_cell_angle_alpha 73.41113
_cell_angle_beta 76.39086
_cell_angle_gamma 75.91736
_cell_volume 226.55163
_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 0.66086 0.43564 0.24264 1.00000
Np2 Np 0.33914 0.56436 0.75736 1.00000
Np3 Np 0.89413 0.91700 0.29473 1.00000
Np4 Np 0.10587 0.08300 0.70527 1.00000
S1 S 0.30406 0.18598 0.20590 1.00000
S2 S 0.69594 0.81402 0.79410 1.00000
S3 S 0.00000 0.50000 0.50000 1.00000
F1 F 0.31767 0.85563 0.50903 1.00000
F2 F 0.49014 0.24226 0.77746 1.00000
F3 F 0.82834 0.42391 0.91941 1.00000
F4 F 0.68233 0.14437 0.49097 1.00000
F5 F 0.17166 0.57609 0.08059 1.00000
F6 F 0.00000 0.00000 0.00000 1.00000
F7 F 0.50986 0.75774 0.22254 1.00000
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