KNpRhS3
Alexandria ALEXAlex-ID: agm005035489 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_492_spg11
K2NpS3 K2(NpS2)3 Rh17S15 Rh
2022-07-10 02:18:23.783247
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005035489).
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 agm005035489
data_agm005035489
_cell_length_a 3.98131
_cell_length_b 8.62804
_cell_length_c 9.17634
_cell_angle_alpha 106.90808
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 301.58969
_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 0.25000 0.19821 0.23959 1.00000
K2 K 0.75000 0.80179 0.76041 1.00000
Np1 Np 0.25000 0.67691 0.15587 1.00000
Np2 Np 0.75000 0.32309 0.84413 1.00000
Rh1 Rh 0.25000 0.08485 0.59193 1.00000
Rh2 Rh 0.75000 0.91515 0.40807 1.00000
S1 S 0.75000 0.87405 0.13669 1.00000
S2 S 0.25000 0.12595 0.86331 1.00000
S3 S 0.25000 0.79731 0.45771 1.00000
S4 S 0.75000 0.20269 0.54229 1.00000
S5 S 0.75000 0.45724 0.15311 1.00000
S6 S 0.25000 0.54276 0.84689 1.00000
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