AlSb

弹性数据 ELA

MP-ID: mp-1018100 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

AlSb

MP-ID

mp-1018100

Elements

Sites

Density

4.1781

g/cm³

Volume

118.23

Å³

Cell a

4.3618

Cell b

4.3618

Cell c

7.1757

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
23.55	3.7775	41.1	(1,-1,0,0)
23.55	3.7774	41.1	(1,0,-1,0)
23.55	3.7774	41.1	(0,1,-1,0)
24.82	3.5879	100.0	(0,0,0,2)
26.67	3.3426	43.6	(1,-1,0,1)
26.67	3.3426	43.6	(1,-1,0,-1)
26.67	3.3426	87.1	(1,0,-1,1)
26.67	3.3426	43.6	(0,1,-1,-1)
26.67	3.3426	43.6	(0,1,-1,1)
34.48	2.6014	10.6	(1,-1,0,2)
34.48	2.6014	10.6	(1,-1,0,-2)
34.48	2.6014	31.8	(1,0,-1,2)
34.48	2.6014	10.6	(0,1,-1,2)
41.40	2.1809	36.2	(2,-1,-1,0)
41.40	2.1809	36.2	(1,-2,1,0)
41.40	2.1809	36.2	(1,1,-2,0)
44.85	2.0208	19.7	(1,-1,0,3)
44.85	2.0208	59.1	(1,0,-1,3)
44.85	2.0208	19.7	(1,0,-1,-3)
44.85	2.0208	19.7	(0,1,-1,3)
48.18	1.8887	5.8	(2,-2,0,0)
48.18	1.8887	5.8	(2,0,-2,0)
48.18	1.8887	5.8	(0,2,-2,0)
48.87	1.8636	15.6	(2,-1,-1,2)

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Energy Properties

Formation Energy/atom

-0.24409

eV/atom

Energy/atom

-16.46330

eV/atom

Energy above Hull

0.0089

eV/atom

Uncorrected Energy

-16.4633

eV/atom

Volume/atom

29.56

Å³

c/a Ratio

1.6451

Electronic Properties

Metallic

Non-metal

Band Gap

0.912

Direct Gap

Yes

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

49.329

GPa

G_VRH

28.721

GPa

Young's Modulus E

72.159

GPa

Poisson Ratio ν

0.256

Pugh Ratio K/G

1.718

Vickers Hardness Est.

4.573

GPa

Ductility

Ductile

Anisotropy

0.213

Lame λ

30.182

GPa

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2130

Homogeneous Poisson ν

0.2560

Debye Temperature

280.4

Sound Velocity

2,912.9

m/s

Homogeneity

0.2560

Related Tasks

Related computation task IDs (6)

aaacitbb aaaclmdi aaadwfpj aaaehflb aaaeolfh aaafczhv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018100

Reference Citation

The crystal structure and related material properties of AlSb were obtained from the Materials Project database (MP-ID: mp-1018100, 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_AlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36182056
_cell_length_b   4.36181760
_cell_length_c   7.17569650
_cell_angle_alpha   90.00003742
_cell_angle_beta   89.99997867
_cell_angle_gamma   120.00009817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlSb
_chemical_formula_sum   'Al2 Sb2'
_cell_volume   118.23050903
_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
  Al  Al0  1  0.66666600  0.33333300  0.50037827  1.0
  Al  Al1  1  0.33333400  0.66666800  0.00037827  1.0
  Sb  Sb2  1  0.66666700  0.33333400  0.87472173  1.0
  Sb  Sb3  1  0.33333400  0.66666600  0.37472173  1.0

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