KNp(PO3)4
Alexandria ALEXAlex-ID: agm022063596 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_77_spg15
KPO3 NpP2O7 Np(PO3)4 P
2025-01-18 18:18:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022063596).
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 agm022063596
data_agm022063596
_cell_length_a 7.54398
_cell_length_b 7.54398
_cell_length_c 10.82058
_cell_angle_alpha 79.31201
_cell_angle_beta 100.68799
_cell_angle_gamma 64.49055
_cell_volume 521.12561
_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 0.18773 0.18773 0.25000 1.00000
K2 K 0.81227 0.81227 0.75000 1.00000
Np1 Np 0.87912 0.87912 0.25000 1.00000
Np2 Np 0.12088 0.12088 0.75000 1.00000
P1 P 0.74368 0.30525 0.95017 1.00000
P2 P 0.71413 0.62340 0.49935 1.00000
P3 P 0.28587 0.37660 0.50065 1.00000
P4 P 0.30525 0.74368 0.54983 1.00000
P5 P 0.25632 0.69475 0.04983 1.00000
P6 P 0.69475 0.25632 0.45017 1.00000
P7 P 0.62340 0.71413 0.00065 1.00000
P8 P 0.37660 0.28587 0.99935 1.00000
O1 O 0.28864 0.46437 0.07042 1.00000
O2 O 0.50865 0.09156 0.11241 1.00000
O3 O 0.71136 0.53563 0.92958 1.00000
O4 O 0.80669 0.69453 0.09722 1.00000
O5 O 0.17235 0.76666 0.15598 1.00000
O6 O 0.09156 0.50865 0.38759 1.00000
O7 O 0.49135 0.90844 0.88759 1.00000
O8 O 0.81886 0.14687 0.59288 1.00000
O9 O 0.90844 0.49135 0.61241 1.00000
O10 O 0.53563 0.71136 0.57042 1.00000
O11 O 0.76666 0.17235 0.34402 1.00000
O12 O 0.69453 0.80669 0.40278 1.00000
O13 O 0.18114 0.85313 0.40712 1.00000
O14 O 0.82765 0.23334 0.84402 1.00000
O15 O 0.30547 0.19331 0.59722 1.00000
O16 O 0.65159 0.49316 0.41549 1.00000
O17 O 0.85313 0.18114 0.09288 1.00000
O18 O 0.46437 0.28864 0.42958 1.00000
O19 O 0.49316 0.65159 0.08451 1.00000
O20 O 0.14687 0.81886 0.90712 1.00000
O21 O 0.23334 0.82765 0.65598 1.00000
O22 O 0.19331 0.30547 0.90278 1.00000
O23 O 0.34841 0.50684 0.58451 1.00000
O24 O 0.50684 0.34841 0.91549 1.00000
