CsNpCl14
Alexandria ALEXAlex-ID: agm005802848 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_38_spg5
CsCl7 NpCl6 Cl2
2023-07-19 00:53:53.443008
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802848).
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 agm005802848
data_agm005802848
_cell_length_a 10.64708
_cell_length_b 10.64708
_cell_length_c 7.03071
_cell_angle_alpha 100.58290
_cell_angle_beta 100.58283
_cell_angle_gamma 112.75197
_cell_volume 693.38389
_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
Cs1 Cs 0.37069 0.62931 0.00000 1.00000
Np1 Np 0.66322 0.33678 1.00000 1.00000
Cl1 Cl 0.39128 0.60872 0.50000 1.00000
Cl2 Cl 0.94349 0.05651 0.50000 1.00000
Cl3 Cl 0.86845 0.54327 0.98853 1.00000
Cl4 Cl 0.01730 0.59404 0.54942 1.00000
Cl5 Cl 0.45673 0.13155 0.01147 1.00000
Cl6 Cl 0.40596 0.98270 0.45058 1.00000
Cl7 Cl 0.70634 0.18167 0.73922 1.00000
Cl8 Cl 0.77108 0.88421 0.23822 1.00000
Cl9 Cl 0.11579 0.22893 0.76178 1.00000
Cl10 Cl 0.81833 0.29366 0.26078 1.00000
Cl11 Cl 0.13012 0.78899 0.74089 1.00000
Cl12 Cl 0.21101 0.86988 0.25911 1.00000
Cl13 Cl 0.50940 0.37919 0.73821 1.00000
Cl14 Cl 0.62081 0.49060 0.26179 1.00000
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