NpF6
Alexandria ALEXAlex-ID: agm003237698 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_1_spg62
NpF6
2021-12-12 23:01:57.596932
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003237698).
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 agm003237698
data_agm003237698
_cell_length_a 5.36712
_cell_length_b 9.22560
_cell_length_c 10.18114
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 504.11826
_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 0.92031 0.75000 0.62963 1.00000
Np2 Np 0.07969 0.25000 0.37037 1.00000
Np3 Np 0.42031 0.25000 0.87037 1.00000
Np4 Np 0.57969 0.75000 0.12963 1.00000
F1 F 0.22434 0.75000 0.51458 1.00000
F2 F 0.77566 0.25000 0.48542 1.00000
F3 F 0.72434 0.25000 0.98542 1.00000
F4 F 0.27566 0.75000 0.01458 1.00000
F5 F 0.61607 0.75000 0.74510 1.00000
F6 F 0.38393 0.25000 0.25490 1.00000
F7 F 0.11607 0.25000 0.75490 1.00000
F8 F 0.88393 0.75000 0.24510 1.00000
F9 F 0.76558 0.59647 0.51604 1.00000
F10 F 0.23442 0.40353 0.48396 1.00000
F11 F 0.26558 0.40353 0.98396 1.00000
F12 F 0.23442 0.09647 0.48396 1.00000
F13 F 0.73442 0.59647 0.01604 1.00000
F14 F 0.76558 0.90353 0.51604 1.00000
F15 F 0.73442 0.90353 0.01604 1.00000
F16 F 0.26558 0.09647 0.98396 1.00000
F17 F 0.07433 0.59624 0.74298 1.00000
F18 F 0.92567 0.40376 0.25702 1.00000
F19 F 0.57433 0.40376 0.75702 1.00000
F20 F 0.92567 0.09624 0.25702 1.00000
F21 F 0.42567 0.59624 0.24298 1.00000
F22 F 0.07433 0.90376 0.74298 1.00000
F23 F 0.42567 0.90376 0.24298 1.00000
F24 F 0.57433 0.09624 0.75702 1.00000
