K5Np2F12
Alexandria ALEXAlex-ID: agm005646184 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_282_spg12
K3NpF7 K3NpF6 KNpF4
2023-06-23 08:03:09.490480
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646184).
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 agm005646184
data_agm005646184
_cell_length_a 6.54548
_cell_length_b 8.04721
_cell_length_c 8.04721
_cell_angle_alpha 61.44417
_cell_angle_beta 83.64704
_cell_angle_gamma 83.64703
_cell_volume 369.20948
_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 0.03880 0.23025 0.23025 1.00000
K2 K 0.50929 0.36405 0.36405 1.00000
K3 K 0.50000 0.00000 0.00000 1.00000
K4 K 0.49071 0.63595 0.63595 1.00000
K5 K 0.96120 0.76975 0.76975 1.00000
Np1 Np 1.00000 0.74637 0.25363 1.00000
Np2 Np 0.00000 0.25363 0.74637 1.00000
F1 F 0.85445 0.06903 0.06903 1.00000
F2 F 0.19141 0.15568 0.55084 1.00000
F3 F 0.19141 0.55084 0.15568 1.00000
F4 F 0.75238 0.10598 0.69462 1.00000
F5 F 0.75238 0.69462 0.10598 1.00000
F6 F 0.81118 0.47638 0.47638 1.00000
F7 F 0.18882 0.52362 0.52362 1.00000
F8 F 0.24762 0.89402 0.30538 1.00000
F9 F 0.24762 0.30538 0.89402 1.00000
F10 F 0.80859 0.84432 0.44916 1.00000
F11 F 0.80859 0.44916 0.84432 1.00000
F12 F 0.14555 0.93097 0.93097 1.00000
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