KNpCl4
Alexandria ALEXAlex-ID: agm005744565 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_239_spg65
KNp2Cl7 K2NpCl5
2023-07-27 23:31:28.733979
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005744565).
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 agm005744565
data_agm005744565
_cell_length_a 8.26105
_cell_length_b 8.26106
_cell_length_c 8.26104
_cell_angle_alpha 104.25431
_cell_angle_beta 116.78430
_cell_angle_gamma 107.64636
_cell_volume 428.29702
_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 0.25355 0.00355 0.75000 1.00000
K2 K 0.74645 0.99645 0.25000 1.00000
Np1 Np 0.50000 0.50000 0.50000 1.00000
Np2 Np 0.00000 0.50000 0.00000 1.00000
Cl1 Cl 0.75020 0.67453 0.92434 1.00000
Cl2 Cl 0.72926 0.22533 0.00393 1.00000
Cl3 Cl 0.77861 0.77467 0.50393 1.00000
Cl4 Cl 0.75020 0.32586 0.57566 1.00000
Cl5 Cl 0.24980 0.67414 0.42434 1.00000
Cl6 Cl 0.27074 0.77467 0.99607 1.00000
Cl7 Cl 0.22139 0.22533 0.49607 1.00000
Cl8 Cl 0.24980 0.32547 0.07566 1.00000
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