K3NpF6
Alexandria ALEXAlex-ID: agm005962812 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_18_spg14
K3NpF6
2023-09-15 03:07:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962812).
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 agm005962812
data_agm005962812
_cell_length_a 6.49230
_cell_length_b 6.74389
_cell_length_c 9.29910
_cell_angle_alpha 90.00000
_cell_angle_beta 88.83398
_cell_angle_gamma 90.00000
_cell_volume 407.06186
_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 0.51694 0.94769 0.75990 1.00000
K2 K 0.50000 0.50000 0.00000 1.00000
K3 K 0.48306 0.05231 0.24010 1.00000
K4 K 0.01694 0.55231 0.25990 1.00000
K5 K 0.00000 0.00000 0.50000 1.00000
K6 K 0.98306 0.44769 0.74010 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
Np2 Np 0.00000 0.00000 0.00000 1.00000
F1 F 0.71040 0.17875 0.94866 1.00000
F2 F 0.67341 0.22458 0.58167 1.00000
F3 F 0.62504 0.42944 0.27194 1.00000
F4 F 0.37496 0.57056 0.72806 1.00000
F5 F 0.32659 0.77542 0.41833 1.00000
F6 F 0.28960 0.82125 0.05134 1.00000
F7 F 0.21040 0.32125 0.44866 1.00000
F8 F 0.17341 0.27542 0.08167 1.00000
F9 F 0.12504 0.07056 0.77194 1.00000
F10 F 0.87496 0.92944 0.22806 1.00000
F11 F 0.82659 0.72458 0.91833 1.00000
F12 F 0.78960 0.67875 0.55134 1.00000
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