K2NaNp(Cl2O)2
Alexandria ALEXAlex-ID: agm011362078 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E4_29_spg1
K2Np(Cl2O)2 NaCl KCl NpO2
2024-04-23 08:19:26.123781
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011362078).
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
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# CIF generated by HEAS from Alexandria entry agm011362078
data_agm011362078
_cell_length_a 6.75065
_cell_length_b 6.91345
_cell_length_c 6.97653
_cell_angle_alpha 78.61312
_cell_angle_beta 65.21704
_cell_angle_gamma 70.60517
_cell_volume 278.18976
_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 0.91780 0.34624 0.32496 1.00000
K2 K 0.08104 0.70638 0.69049 1.00000
Na1 Na 0.40498 0.10587 0.80133 1.00000
Np1 Np 0.50503 0.50251 0.00660 1.00000
Cl1 Cl 0.80476 0.15612 0.79464 1.00000
Cl2 Cl 0.59828 0.72711 0.62010 1.00000
Cl3 Cl 0.20162 0.87572 0.16573 1.00000
Cl4 Cl 0.38431 0.31950 0.41687 1.00000
O1 O 0.73739 0.56100 0.03404 1.00000
O2 O 0.28146 0.43104 0.96930 1.00000
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