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SbF4

Alexandria ALEX

Alex-ID: agm002148142 · Space group: P1 (#1)

Basic Information

Formula
SbF4
Alex-ID
agm002148142
Elements
2
Sites
10
Space group
P1 (#1)
Crystal system
triclinic
Volume
132.49
ų
Cell a
5.1674
Å
Cell b
5.1648
Å
Cell c
6.1800
Å
α angle
77.94
°
β angle
56.13
°
γ angle
90.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SbF4
Sb
2.00 · 20.0%
F
8.00 · 80.0%

Energy & Stability

Energy above hull
0.1780
eV/atom
Formation energy
-2.5039
eV/atom
Corrected total energy
-44.6478
eV
Raw total energy
-44.6478
eV

Electronic Structure

Indirect band gap
2.4601
eV
Direct band gap
2.7444
eV
DOS at Fermi level
0.0000
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_189_spg1

Decomposition

SbF4

Computed at

2018-06-05 11:14:33

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002148142).

Reference

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

BibTeX
@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…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm002148142
data_agm002148142
_cell_length_a     5.16740
_cell_length_b     5.16483
_cell_length_c     6.17999
_cell_angle_alpha  77.93719
_cell_angle_beta   56.12720
_cell_angle_gamma  90.09426
_cell_volume       132.49406
_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 0.99946 0.50002 0.00069 1.00000
  Sb2 Sb 0.49588 0.00052 0.00230 1.00000
  F1 F 0.30861 0.25850 0.78238 1.00000
  F2 F 0.14343 0.28241 0.22580 1.00000
  F3 F 0.56029 0.60732 0.22095 1.00000
  F4 F 0.69162 0.15269 0.22416 1.00000
  F5 F 0.99239 0.84641 0.77357 1.00000
  F6 F 0.85587 0.39228 0.77952 1.00000
  F7 F 0.44144 0.71311 0.78161 1.00000
  F8 F 0.01382 0.73936 0.22154 1.00000
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