Sb2H3CNF14
Alexandria ALEXAlex-ID: agm005277218 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E14_2_spg11
Sb2F7 H3N2F3 HF CF4
2024-10-04 23:21:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005277218).
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 agm005277218
data_agm005277218
_cell_length_a 7.64529
_cell_length_b 7.66360
_cell_length_c 10.05890
_cell_angle_alpha 90.00000
_cell_angle_beta 99.60247
_cell_angle_gamma 90.00000
_cell_volume 581.09770
_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
Sb1 Sb 0.24412 0.25000 0.47789 1.00000
Sb2 Sb 0.75588 0.75000 0.52211 1.00000
Sb3 Sb 0.49980 0.25000 0.16870 1.00000
Sb4 Sb 0.50020 0.75000 0.83130 1.00000
H1 H 0.82084 0.25000 0.67988 1.00000
H2 H 0.17916 0.75000 0.32012 1.00000
H3 H 0.71842 0.36144 0.79103 1.00000
H4 H 0.28158 0.86144 0.20897 1.00000
H5 H 0.28158 0.63856 0.20897 1.00000
H6 H 0.71842 0.13856 0.79103 1.00000
C1 C 0.95878 0.25000 0.87734 1.00000
C2 C 0.04122 0.75000 0.12266 1.00000
N1 N 0.79132 0.25000 0.77670 1.00000
N2 N 0.20868 0.75000 0.22330 1.00000
F1 F 0.08207 0.25000 0.31312 1.00000
F2 F 0.91793 0.75000 0.68688 1.00000
F3 F 0.25870 0.00238 0.46486 1.00000
F4 F 0.74130 0.50238 0.53514 1.00000
F5 F 0.74130 0.99762 0.53514 1.00000
F6 F 0.25870 0.49762 0.46486 1.00000
F7 F 0.45042 0.25000 0.36453 1.00000
F8 F 0.54958 0.75000 0.63547 1.00000
F9 F 0.52428 0.25000 0.98446 1.00000
F10 F 0.47572 0.75000 0.01554 1.00000
F11 F 0.66799 0.07304 0.22331 1.00000
F12 F 0.33201 0.57304 0.77669 1.00000
F13 F 0.33201 0.92696 0.77669 1.00000
F14 F 0.66799 0.42696 0.22331 1.00000
F15 F 0.31688 0.42519 0.14013 1.00000
F16 F 0.68312 0.92519 0.85987 1.00000
F17 F 0.68312 0.57481 0.85987 1.00000
F18 F 0.31688 0.07481 0.14013 1.00000
F19 F 0.06505 0.25000 0.58774 1.00000
F20 F 0.93495 0.75000 0.41226 1.00000
F21 F 0.43495 0.25000 0.62580 1.00000
F22 F 0.56505 0.75000 0.37420 1.00000
F23 F 0.05159 0.10668 0.85941 1.00000
F24 F 0.94841 0.60668 0.14059 1.00000
F25 F 0.94841 0.89332 0.14059 1.00000
F26 F 0.05159 0.39332 0.85941 1.00000
F27 F 0.91630 0.25000 0.00140 1.00000
F28 F 0.08370 0.75000 0.99860 1.00000
