Cs2Np(ClF2)2
Alexandria ALEXAlex-ID: agm030146019 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_99_spg2
Cs2Np(Cl2F)2 CsNpF5 CsCl
2024-12-31 03:44:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030146019).
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 agm030146019
data_agm030146019
_cell_length_a 7.55913
_cell_length_b 7.55913
_cell_length_c 5.58218
_cell_angle_alpha 86.44479
_cell_angle_beta 93.55521
_cell_angle_gamma 126.87455
_cell_volume 254.54530
_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 0.35489 0.64511 0.35441 1.00000
Cs2 Cs 0.64511 0.35489 0.64559 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.81641 0.18359 0.17106 1.00000
Cl2 Cl 0.18359 0.81641 0.82894 1.00000
F1 F 0.81560 0.72438 0.24379 1.00000
F2 F 0.72438 0.81560 0.75621 1.00000
F3 F 0.18440 0.27562 0.75621 1.00000
F4 F 0.27562 0.18440 0.24379 1.00000
Get direct link