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InSb

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-684597 · Space group: Imm2 (#44)

Basic Information

Formula
InSb
MP-ID
mp-684597
Elements
2
Sites
2
Density
6.8956
g/cm³
Volume
56.97
ų
Cell a
4.5327
Å
Cell b
4.5327
Å
Cell c
4.5327
Å
α Angle
139.19
°
β Angle
99.57
°
γ Angle
94.41
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic I
Stability
No
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
29.00 3.0794 67.7 (1,1,-1)
30.55 2.9265 59.1 (1,-1,1)
31.82 2.8121 3.0 (1,0,-1)
32.19 2.7812 100.0 (1,-1,0)
42.62 2.1214 47.0 (0,2,-2)
43.86 2.0640 83.9 (2,0,-1)
44.69 2.0277 2.3 (2,-1,0)
55.34 1.6602 20.7 (2,-2,1)
58.39 1.5804 8.0 (1,-1,-1)
60.09 1.5397 8.3 (2,2,-2)
62.74 1.4810 3.2 (2,-1,-1)
63.59 1.4633 6.9 (2,-2,2)
63.68 1.4614 26.9 (3,-1,0)
66.50 1.4060 10.8 (2,0,-2)
67.34 1.3906 10.4 (2,-2,0)
68.91 1.3626 10.9 (1,3,-3)
69.82 1.3471 20.4 (2,2,-3)
71.37 1.3217 9.8 (1,-3,3)
74.93 1.2674 15.2 (3,-1,-1)
78.03 1.2246 1.7 (3,0,-2)
79.60 1.2043 1.6 (3,-2,0)
86.14 1.1289 11.8 (1,3,-4)
88.70 1.1029 5.1 (3,1,-3)
89.22 1.0978 5.5 (3,-3,2)
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Energy Properties

Formation Energy/atom
-0.11821
eV/atom
Energy/atom
-24.26067
eV/atom
Energy above Hull
0.1198
eV/atom
Uncorrected Energy
-3.4336
eV/atom
Volume/atom
28.49
ų
c/a Ratio
-

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0003
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

KVRH
47.174
GPa
GVRH
18.782
GPa
Young's Modulus E
49.744
GPa
Poisson Ratio ν
0.324
Pugh Ratio K/G
2.512
Vickers Hardness Est.
0.786
GPa
Ductility
Brittle
Anisotropy
1.492
Lame λ
34.653
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.544
Family
Binary Alloy
Matrix Element
In · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.4920
Homogeneous Poisson ν
0.3240
Debye Temperature
180.2
K
Sound Velocity
1,849.2
m/s
Homogeneity
0.3240

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-684597
Reference Citation

The crystal structure and related material properties of InSb were obtained from the Materials Project database (MP-ID: mp-684597, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_InSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53268222
_cell_length_b   4.53268222
_cell_length_c   4.53268222
_cell_angle_alpha   139.18841012
_cell_angle_beta   99.57072326
_cell_angle_gamma   94.40880380
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSb
_chemical_formula_sum   'In1 Sb1'
_cell_volume   56.97068112
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.50000000  0.59766100  0.09766100  1.0
  Sb  Sb1  1  0.00000000  0.15151300  0.15151300  1.0
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