CF4
Alexandria ALEXAlex-ID: agm079867736 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_2369_spg1
CF4
2025-02-26 06:31:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079867736).
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 agm079867736
data_agm079867736
_cell_length_a 6.17810
_cell_length_b 6.08914
_cell_length_c 6.79440
_cell_angle_alpha 93.30333
_cell_angle_beta 84.66367
_cell_angle_gamma 90.37649
_cell_volume 254.07017
_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 0.08389 0.47087 0.74566 1.00000
C2 C 0.50581 0.40291 0.14056 1.00000
C3 C 0.61028 0.92663 0.51344 1.00000
F1 F 0.28502 0.39405 0.68846 1.00000
F2 F 0.96988 0.47290 0.58695 1.00000
F3 F 0.65424 0.39037 0.27188 1.00000
F4 F 0.48841 0.20695 0.04205 1.00000
F5 F 0.67161 0.10319 0.62256 1.00000
F6 F 0.41844 0.96613 0.44363 1.00000
F7 F 0.09649 0.67550 0.82833 1.00000
F8 F 0.76163 0.88297 0.36151 1.00000
F9 F 0.98609 0.33797 0.87846 1.00000
F10 F 0.56742 0.55679 0.01235 1.00000
F11 F 0.31188 0.45932 0.23626 1.00000
F12 F 0.58892 0.75346 0.62790 1.00000
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