CF2
Alexandria ALEXAlex-ID: agm005274071 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2514_spg2
CF4 C
2023-05-07 12:56:51.944788
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005274071).
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 agm005274071
data_agm005274071
_cell_length_a 6.25081
_cell_length_b 6.44621
_cell_length_c 6.69926
_cell_angle_alpha 92.79409
_cell_angle_beta 109.37642
_cell_angle_gamma 94.14244
_cell_volume 253.22579
_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 0.54782 0.82563 0.76802 1.00000
C2 C 0.45218 0.17437 0.23198 1.00000
C3 C 0.34348 0.74370 0.63690 1.00000
C4 C 0.65652 0.25630 0.36310 1.00000
C5 C 0.25573 0.28751 0.10839 1.00000
C6 C 0.74427 0.71249 0.89161 1.00000
F1 F 0.69180 0.50265 0.86934 1.00000
F2 F 0.72249 0.45814 0.40608 1.00000
F3 F 0.81371 0.77505 0.10240 1.00000
F4 F 0.92814 0.75360 0.82737 1.00000
F5 F 0.30820 0.49735 0.13066 1.00000
F6 F 0.18629 0.22495 0.89760 1.00000
F7 F 0.07186 0.24640 0.17263 1.00000
F8 F 0.59165 0.03639 0.79569 1.00000
F9 F 0.18302 0.86065 0.53391 1.00000
F10 F 0.27751 0.54186 0.59392 1.00000
F11 F 0.81698 0.13935 0.46609 1.00000
F12 F 0.40835 0.96361 0.20431 1.00000
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