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SbC

Alexandria ALEX

Alex-ID: agm005445083 · Space group: Imm2 (#44)

Basic Information

Formula
SbC
Alex-ID
agm005445083
Elements
2
Sites
6
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
96.82
ų
Cell a
6.0415
Å
Cell b
6.0415
Å
Cell c
6.0415
Å
α angle
148.16
°
β angle
122.58
°
γ angle
67.17
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SbC
Sb
3.00 · 50.0%
C
3.00 · 50.0%

Energy & Stability

Energy above hull
1.4290
eV/atom
Formation energy
1.4290
eV/atom
Corrected total energy
-31.4647
eV
Raw total energy
-31.4647
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.2507
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB_341_spg8

Decomposition

C Sb

Computed at

2023-03-19 07:53:56.029710

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: agm005445083).

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 agm005445083
data_agm005445083
_cell_length_a     6.04151
_cell_length_b     6.04151
_cell_length_c     6.04151
_cell_angle_alpha  148.15866
_cell_angle_beta   122.58398
_cell_angle_gamma  67.16694
_cell_volume       96.82199
_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 0.84972 0.16892 0.68079 1.00000
  Sb2 Sb 0.51187 0.83108 0.68079 1.00000
  Sb3 Sb 0.12262 0.50000 0.62262 1.00000
  C1 C 0.86314 0.80726 0.05588 1.00000
  C2 C 0.73738 0.50000 0.23738 1.00000
  C3 C 0.24862 0.19274 0.05588 1.00000
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