Np3(AgS2)4
Alexandria ALEXAlex-ID: agm005706101 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
NpS2 NpS3 Ag
2023-06-29 19:00:31.518048
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706101).
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 agm005706101
data_agm005706101
_cell_length_a 7.93539
_cell_length_b 7.93539
_cell_length_c 8.00917
_cell_angle_alpha 60.30409
_cell_angle_beta 60.30409
_cell_angle_gamma 59.99998
_cell_volume 358.25353
_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 0.50000 0.00000 0.50000 1.00000
Np2 Np 0.00000 0.00000 0.50000 1.00000
Np3 Np 0.00000 0.50000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.36138 0.36138 0.91585 1.00000
Ag3 Ag 0.50000 0.50000 0.50000 1.00000
Ag4 Ag 0.63862 0.63862 0.08415 1.00000
S1 S 0.23791 0.23791 0.28626 1.00000
S2 S 0.22636 0.75160 0.27044 1.00000
S3 S 0.75160 0.75160 0.27044 1.00000
S4 S 0.75160 0.22636 0.27044 1.00000
S5 S 0.76209 0.76209 0.71374 1.00000
S6 S 0.77364 0.24840 0.72956 1.00000
S7 S 0.24840 0.24840 0.72956 1.00000
S8 S 0.24840 0.77364 0.72956 1.00000
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