CsN2ClF8
Alexandria ALEXAlex-ID: agm004875669 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_866_spg12
N2Cl CsN4F CsClF4 NF3
2023-01-01 22:25:44.226696
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875669).
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 agm004875669
data_agm004875669
_cell_length_a 6.07817
_cell_length_b 8.01091
_cell_length_c 7.96980
_cell_angle_alpha 38.80137
_cell_angle_beta 67.58422
_cell_angle_gamma 67.70544
_cell_volume 222.52099
_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 0.50000 0.50000 0.50000 1.00000
N1 N 0.24205 0.27290 0.24299 1.00000
N2 N 0.75795 0.72710 0.75701 1.00000
Cl1 Cl 0.00000 0.00000 0.00000 1.00000
F1 F 0.85711 0.58946 0.69631 1.00000
F2 F 0.72112 0.52041 0.03735 1.00000
F3 F 0.14289 0.41054 0.30369 1.00000
F4 F 0.27888 0.47959 0.96265 1.00000
F5 F 0.69506 0.01602 0.16098 1.00000
F6 F 0.30494 0.98398 0.83902 1.00000
F7 F 0.12794 0.01602 0.16098 1.00000
F8 F 0.87206 0.98398 0.83902 1.00000
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