K2NpSbS5
Alexandria ALEXAlex-ID: agm005159550 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
K2NpS3 NpS3 KSbS2
2023-01-19 13:53:02.783370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005159550).
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 agm005159550
data_agm005159550
_cell_length_a 4.18016
_cell_length_b 8.97857
_cell_length_c 14.59476
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.46111
_cell_volume 532.71991
_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
K1 K 0.85604 0.71208 0.80552 1.00000
K2 K 0.09373 0.18746 0.66171 1.00000
K3 K 0.14396 0.28792 0.30552 1.00000
K4 K 0.90627 0.81254 0.16171 1.00000
Np1 Np 0.78348 0.56696 0.53201 1.00000
Np2 Np 0.21652 0.43304 0.03201 1.00000
Sb1 Sb 0.53866 0.07732 0.93721 1.00000
Sb2 Sb 0.46134 0.92268 0.43721 1.00000
S1 S 0.35417 0.70834 0.99076 1.00000
S2 S 0.68461 0.36923 0.91311 1.00000
S3 S 0.49838 0.99675 0.78101 1.00000
S4 S 0.27338 0.54677 0.64469 1.00000
S5 S 0.92937 0.85874 0.55795 1.00000
S6 S 0.64583 0.29166 0.49076 1.00000
S7 S 0.31539 0.63077 0.41311 1.00000
S8 S 0.50162 0.00325 0.28101 1.00000
S9 S 0.72662 0.45323 0.14469 1.00000
S10 S 0.07063 0.14126 0.05795 1.00000
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