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In10Sb9Te

Alexandria ALEX

Alex-ID: agm005219782 · Space group: P-1 (#2)

Alexandria Database API

Basic Information

Formula
In10Sb9Te
Alex-ID
agm005219782
Elements
3
Sites
20
Space group
P-1 (#2)
Crystal system
triclinic
Volume
582.17
ų
Cell a
7.5155
Å
Cell b
8.6171
Å
Cell c
9.8235
Å
α angle
103.83
°
β angle
96.70
°
γ angle
106.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
In10Sb9Te
In
10.00 · 50.0%
Sb
9.00 · 45.0%
Te
1.00 · 5.0%

Energy & Stability

Energy above hull
0.1352
eV/atom
Formation energy
0.0095
eV/atom
Corrected total energy
-67.7499
eV
Raw total energy
-67.7499
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.3358
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB9C10_3_spg2

Decomposition

InSb InTe

Computed at

2023-05-08 02:14:46.940490

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: agm005219782).

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 agm005219782
data_agm005219782
_cell_length_a     7.51545
_cell_length_b     8.61706
_cell_length_c     9.82351
_cell_angle_alpha  103.82980
_cell_angle_beta   96.69907
_cell_angle_gamma  106.04764
_cell_volume       582.17345
_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 0.90121 0.54817 0.80183 1.00000
  In2 In 0.69692 0.15352 0.40160 1.00000
  In3 In 0.49892 0.75185 0.99847 1.00000
  In4 In 0.69612 0.64461 0.39862 1.00000
  In5 In 0.30388 0.35539 0.60138 1.00000
  In6 In 0.10177 0.94584 0.19564 1.00000
  In7 In 0.50108 0.24815 0.00153 1.00000
  In8 In 0.30308 0.84648 0.59840 1.00000
  In9 In 0.09879 0.45183 0.19817 1.00000
  In10 In 0.89823 0.05416 0.80436 1.00000
  Sb1 Sb 0.79799 0.59965 0.10220 1.00000
  Sb2 Sb 0.59889 0.19924 0.69871 1.00000
  Sb3 Sb 0.40111 0.80076 0.30129 1.00000
  Sb4 Sb 0.79947 0.09853 0.10676 1.00000
  Sb5 Sb 0.20201 0.40035 0.89780 1.00000
  Sb6 Sb 0.61125 0.70324 0.70112 1.00000
  Sb7 Sb 0.38875 0.29676 0.29888 1.00000
  Sb8 Sb 0.20053 0.90147 0.89324 1.00000
  Sb9 Sb 0.00000 0.50000 0.50000 1.00000
  Te1 Te 0.00000 0.00000 0.50000 1.00000
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