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SbH2

Alexandria ALEX

Alex-ID: agm002071817 · Space group: P1 (#1)

Basic Information

Formula
SbH2
Alex-ID
agm002071817
Elements
2
Sites
6
Space group
P1 (#1)
Crystal system
triclinic
Volume
112.12
ų
Cell a
3.3683
Å
Cell b
3.3754
Å
Cell c
10.6821
Å
α angle
86.69
°
β angle
86.68
°
γ angle
67.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SbH2
Sb
2.00 · 33.3%
H
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0934
eV/atom
Formation energy
0.0228
eV/atom
Corrected total energy
-21.0671
eV
Raw total energy
-21.0671
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0078
eV
DOS at Fermi level
0.8212
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2_1429_spg1

Decomposition

SbH3 Sb

Computed at

2021-11-09 01:17:26.069787

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: agm002071817).

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 agm002071817
data_agm002071817
_cell_length_a     3.36833
_cell_length_b     3.37539
_cell_length_c     10.68213
_cell_angle_alpha  86.69438
_cell_angle_beta   86.67923
_cell_angle_gamma  67.73811
_cell_volume       112.12446
_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 0.16746 0.53777 0.06255 1.00000
  Sb2 Sb 0.63986 0.01037 0.27437 1.00000
  H1 H 0.63891 0.96597 0.73542 1.00000
  H2 H 0.53736 0.95385 0.79940 1.00000
  H3 H 0.04753 0.36235 0.60066 1.00000
  H4 H 0.95475 0.37550 0.53747 1.00000
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