K3Np(PO4)2
Alexandria ALEXAlex-ID: agm011665576 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_21_spg1
KP15 K2Np2(PO4)3 K4P2O7 NpO2
2024-07-13 00:28:55.294956
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011665576).
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 agm011665576
data_agm011665576
_cell_length_a 9.92703
_cell_length_b 9.92703
_cell_length_c 8.05338
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 687.30160
_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 0.33449 0.33487 0.26930 1.00000
K2 K 0.00038 0.66551 0.26930 1.00000
K3 K 0.66513 0.99962 0.26930 1.00000
K4 K 0.66551 0.66513 0.73070 1.00000
K5 K 0.99962 0.33449 0.73070 1.00000
K6 K 0.33487 0.00038 0.73070 1.00000
K7 K 0.33333 0.66667 0.50366 1.00000
K8 K 0.66667 0.33333 0.49634 1.00000
K9 K 0.00000 0.00000 0.50000 1.00000
Np1 Np 0.33333 0.66667 0.03800 1.00000
Np2 Np 0.66667 0.33333 0.96200 1.00000
Np3 Np 0.00000 0.00000 0.00000 1.00000
P1 P 0.32612 0.34115 0.76288 1.00000
P2 P 0.01502 0.67388 0.76288 1.00000
P3 P 0.65885 0.98498 0.76288 1.00000
P4 P 0.67388 0.65885 0.23712 1.00000
P5 P 0.98498 0.32612 0.23712 1.00000
P6 P 0.34115 0.01502 0.23712 1.00000
O1 O 0.33339 0.46616 0.88732 1.00000
O2 O 0.13277 0.66661 0.88732 1.00000
O3 O 0.53384 0.86723 0.88732 1.00000
O4 O 0.66661 0.53384 0.11268 1.00000
O5 O 0.86723 0.33339 0.11268 1.00000
O6 O 0.46616 0.13277 0.11268 1.00000
O7 O 0.48272 0.33918 0.77318 1.00000
O8 O 0.85646 0.51728 0.77318 1.00000
O9 O 0.66082 0.14354 0.77318 1.00000
O10 O 0.51728 0.66082 0.22682 1.00000
O11 O 0.14354 0.48272 0.22682 1.00000
O12 O 0.33918 0.85646 0.22682 1.00000
O13 O 0.19078 0.17663 0.81598 1.00000
O14 O 0.98584 0.80922 0.81598 1.00000
O15 O 0.82337 0.01416 0.81598 1.00000
O16 O 0.80922 0.82337 0.18402 1.00000
O17 O 0.01416 0.19078 0.18402 1.00000
O18 O 0.17663 0.98584 0.18402 1.00000
O19 O 0.37919 0.08419 0.41234 1.00000
O20 O 0.91581 0.29500 0.41234 1.00000
O21 O 0.70500 0.62081 0.41234 1.00000
O22 O 0.62081 0.91581 0.58766 1.00000
O23 O 0.08419 0.70500 0.58766 1.00000
O24 O 0.29500 0.37919 0.58766 1.00000
