K3Sb

Elasticity Data ELA

MP-ID: mp-10159 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

K3Sb

MP-ID

mp-10159

Elements

Sites

Density

2.6269

g/cm³

Volume

151.11

Å³

Cell a

5.9787

Cell b

5.9787

Cell c

5.9787

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

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
18.17	4.8816	27.6	(1,0,0)
21.01	4.2276	14.8	(1,1,0)
29.89	2.9893	20.0	(1,1,2)
29.89	2.9893	100.0	(1,0,-1)
35.20	2.5493	11.1	(2,0,1)
35.20	2.5493	5.6	(2,1,0)
36.82	2.4408	2.5	(0,0,2)
36.82	2.4408	2.5	(2,0,0)
42.78	2.1138	14.1	(2,0,2)
42.78	2.1138	7.1	(2,2,0)
46.84	1.9397	6.4	(1,3,1)
46.84	1.9397	1.3	(2,0,-1)
48.13	1.8906	4.8	(3,1,2)
48.13	1.8906	2.4	(2,1,-1)
53.06	1.7259	39.4	(3,0,1)
53.06	1.7259	3.6	(3,1,0)
56.56	1.6272	4.1	(3,0,2)
56.56	1.6272	1.9	(3,0,0)
62.10	1.4947	2.2	(2,2,4)
62.10	1.4947	10.8	(2,0,-2)
65.29	1.4292	4.4	(3,-1,1)
66.33	1.4092	2.6	(1,4,1)
70.43	1.3369	2.9	(3,1,4)
70.43	1.3369	8.7	(3,-1,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.53310

eV/atom

Energy/atom

-11.47337

eV/atom

Energy above Hull

0.0152

eV/atom

Uncorrected Energy

-11.4734

eV/atom

Volume/atom

37.78

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Non-metal

Band Gap

0.677

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

13.114

GPa

G_VRH

6.582

GPa

Young's Modulus E

16.916

GPa

Poisson Ratio ν

0.285

Pugh Ratio K/G

1.992

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

5.611

Lame λ

8.726

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

K · 0.750

Element Family

Alkali-AlkEarth

Solute Fraction

0.250

Interstitial Fraction

0.000

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

5.6110

Homogeneous Poisson ν

0.2850

Debye Temperature

196.0

Sound Velocity

1,764.8

m/s

Homogeneity

0.2850

Related Tasks

Related computation task IDs (5)

aaabnpuu aaadsplv aaaelcdj aaaenkvm aaafbwcd

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10159

Reference Citation

The crystal structure and related material properties of K3Sb were obtained from the Materials Project database (MP-ID: mp-10159, 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

Loading 3D structure…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_K3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97867887
_cell_length_b   5.97867909
_cell_length_c   5.97867967
_cell_angle_alpha   59.99999686
_cell_angle_beta   59.99999566
_cell_angle_gamma   60.00000150
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3Sb
_chemical_formula_sum   'K3 Sb1'
_cell_volume   151.11262091
_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
  K  K0  1  0.50000000  0.50000000  0.50000000  1.0
  K  K1  1  0.25000000  0.25000000  0.25000000  1.0
  K  K2  1  0.75000000  0.75000000  0.75000000  1.0
  Sb  Sb3  1  -0.00000000  0.00000000  -0.00000000  1.0

Get direct link