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In8Sb4P

Alexandria ALEX

Alex-ID: agm098076166 · Space group: P1 (#1)

Basic Information

Formula
In8Sb4P
Alex-ID
agm098076166
Elements
3
Sites
13
Space group
P1 (#1)
Crystal system
triclinic
Volume
383.24
ų
Cell a
5.2758
Å
Cell b
9.1517
Å
Cell c
9.0654
Å
α angle
61.12
°
β angle
89.52
°
γ angle
90.10
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In8Sb4P
In
8.00 · 61.5%
Sb
4.00 · 30.8%
P
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1578
eV/atom
Formation energy
0.0632
eV/atom
Corrected total energy
-43.2344
eV
Raw total energy
-43.2344
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9729
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1381_spg1

Decomposition

InSb In InP

Computed at

2025-06-18 04:13:08

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: agm098076166).

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 agm098076166
data_agm098076166
_cell_length_a     5.27584
_cell_length_b     9.15174
_cell_length_c     9.06543
_cell_angle_alpha  61.11762
_cell_angle_beta   89.52274
_cell_angle_gamma  90.09936
_cell_volume       383.24055
_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
  In1 In 0.69596 0.12482 0.21397 1.00000
  In2 In 0.69459 0.66257 0.17159 1.00000
  In3 In 0.70305 0.67328 0.66389 1.00000
  In4 In 0.67700 0.18339 0.61303 1.00000
  In5 In 0.30431 0.82174 0.33957 1.00000
  In6 In 0.30539 0.33286 0.32536 1.00000
  In7 In 0.31393 0.40371 0.80261 1.00000
  In8 In 0.30629 0.78313 0.87272 1.00000
  Sb1 Sb 0.01108 0.99428 0.00426 1.00000
  Sb2 Sb 0.97079 0.45824 0.02627 1.00000
  Sb3 Sb 0.99623 0.48935 0.50540 1.00000
  Sb4 Sb 0.02609 0.97417 0.54111 1.00000
  P1 P 0.49529 0.09845 0.92020 1.00000
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