CS2NF5
Alexandria ALEXAlex-ID: agm005262991 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_141_spg2
SF4 SN CS14 CF4
2023-05-07 13:11:24.634191
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262991).
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 agm005262991
data_agm005262991
_cell_length_a 5.08569
_cell_length_b 7.50965
_cell_length_c 8.27312
_cell_angle_alpha 96.62404
_cell_angle_beta 91.34848
_cell_angle_gamma 92.36618
_cell_volume 313.46102
_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
C1 C 0.62966 0.48895 0.22314 1.00000
C2 C 0.37034 0.51105 0.77686 1.00000
S1 S 0.11989 0.19495 0.77338 1.00000
S2 S 0.88011 0.80505 0.22662 1.00000
S3 S 0.50063 0.32664 0.29521 1.00000
S4 S 0.49937 0.67336 0.70479 1.00000
N1 N 0.72546 0.60922 0.15096 1.00000
N2 N 0.27454 0.39078 0.84904 1.00000
F1 F 0.27103 0.09420 0.90641 1.00000
F2 F 0.72897 0.90580 0.09359 1.00000
F3 F 0.11638 0.76620 0.10361 1.00000
F4 F 0.02969 0.99407 0.29342 1.00000
F5 F 0.95917 0.28583 0.63436 1.00000
F6 F 0.88362 0.23380 0.89639 1.00000
F7 F 0.97031 0.00593 0.70658 1.00000
F8 F 0.04083 0.71417 0.36564 1.00000
F9 F 0.34944 0.14516 0.64472 1.00000
F10 F 0.65056 0.85484 0.35528 1.00000
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