InSb
传统材料 TRAMP-ID: mp-1007661 · Space group: P6_3mc (#186)
Basic Information
Formula
InSb
MP-ID
mp-1007661
Elements
2
Sites
4
Density
5.5724
g/cm³
Volume
141.00
ų
Cell a
4.6251
Å
Cell b
4.6227
Å
Cell c
7.6163
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.02
°
Space Group
P6_3mc
Point Group
6mm
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.20 | 4.0047 | 100.0 | (1,0,-1,0) |
| 22.21 | 4.0026 | 50.3 | (0,1,-1,0) |
| 23.36 | 3.8082 | 87.1 | (0,0,0,2) |
| 25.12 | 3.5446 | 66.4 | (1,0,-1,1) |
| 25.13 | 3.5431 | 33.2 | (0,1,-1,1) |
| 32.44 | 2.7597 | 37.6 | (1,0,-1,2) |
| 32.45 | 2.7590 | 18.9 | (0,1,-1,2) |
| 38.95 | 2.3126 | 46.3 | (2,-1,-1,0) |
| 38.97 | 2.3113 | 46.2 | (1,-2,1,0) |
| 38.97 | 2.3113 | 46.2 | (1,1,-2,0) |
| 42.14 | 2.1442 | 95.5 | (1,0,-1,3) |
| 42.15 | 2.1439 | 47.6 | (0,1,-1,3) |
| 45.29 | 2.0024 | 7.5 | (2,-2,0,0) |
| 45.29 | 2.0024 | 7.5 | (2,0,-2,0) |
| 45.31 | 2.0013 | 7.4 | (0,2,-2,0) |
| 45.91 | 1.9766 | 28.2 | (2,-1,-1,2) |
| 45.93 | 1.9759 | 28.1 | (1,-2,1,2) |
| 45.93 | 1.9759 | 28.1 | (1,1,-2,2) |
| 46.92 | 1.9366 | 6.0 | (2,-2,0,1) |
| 46.92 | 1.9366 | 6.0 | (2,0,-2,1) |
| 46.94 | 1.9356 | 6.0 | (0,2,-2,1) |
| 51.57 | 1.7723 | 10.0 | (2,0,-2,2) |
| 51.59 | 1.7716 | 4.9 | (0,2,-2,2) |
| 58.73 | 1.5722 | 17.4 | (2,-2,0,3) |
Energy Properties
Formation Energy/atom
-0.23224
eV/atom
Energy/atom
-24.37469
eV/atom
Energy above Hull
0.0058
eV/atom
Uncorrected Energy
-24.3747
eV/atom
Volume/atom
35.25
ų
c/a Ratio
1.6467
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
In · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.620
Family
Binary Alloy
Matrix Element
In · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1007661
Reference Citation
The crystal structure and related material properties of InSb were obtained from the Materials Project database (MP-ID: mp-1007661, 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
3D Crystal Structure Rendering
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Raw CIF Data
# generated using pymatgen
data_InSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62509495
_cell_length_b 4.62264757
_cell_length_c 7.61629790
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.01752955
_symmetry_Int_Tables_number 1
_chemical_formula_structural InSb
_chemical_formula_sum 'In2 Sb2'
_cell_volume 140.99679818
_cell_formula_units_Z 2
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 0.66811846 0.33623692 0.48814893 1.0
In In1 1 0.33188154 0.66376308 0.98814893 1.0
Sb Sb2 1 0.66550217 0.33100333 0.86185107 1.0
Sb Sb3 1 0.33449783 0.66899667 0.36185107 1.0
