K2Sn

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1021516 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

K2Sn

MP-ID

mp-1021516

Elements

Sites

Density

2.0236

g/cm³

Volume

161.58

Å³

Cell a

6.1136

Cell b

6.1136

Cell c

6.1136

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 20)

2θ	d (Å)	I	hkl
17.77	4.9918	77.2	(1,1,1)
20.55	4.3230	3.4	(1,1,0)
29.22	3.0568	100.0	(2,1,1)
34.40	2.6069	46.1	(2,2,1)
35.98	2.4959	1.6	(2,2,2)
41.79	2.1615	18.4	(2,2,0)
45.74	1.9835	21.2	(3,2,2)
47.00	1.9333	2.8	(3,2,1)
51.80	1.7649	38.4	(3,3,2)
55.20	1.6639	16.4	(3,3,3)
60.58	1.5284	11.9	(4,2,2)
63.67	1.4614	16.3	(4,3,2)
64.69	1.4410	1.7	(4,3,3)
68.66	1.3671	16.3	(4,3,1)
71.56	1.3185	5.9	(4,4,3)
72.52	1.3034	1.1	(4,4,2)
76.30	1.2479	4.0	(4,4,4)
79.10	1.2107	9.2	(5,3,3)
83.71	1.1554	19.3	(5,4,3)
86.45	1.1256	11.4	(5,4,4)

Get direct link

Energy Properties

Formation Energy/atom

0.09002

eV/atom

Energy/atom

-2.00075

eV/atom

Energy above Hull

0.2774

eV/atom

Uncorrected Energy

-2.0007

eV/atom

Volume/atom

53.86

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.9955

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.012350

μB/Å³

Elastic Properties

K_VRH

8.242

GPa

G_VRH

3.639

GPa

Young's Modulus E

9.516

GPa

Poisson Ratio ν

0.308

Pugh Ratio K/G

2.265

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.193

Lame λ

5.816

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

K · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.518

Family

Binary Alloy

Matrix Element

K · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1930

Homogeneous Poisson ν

0.3080

Debye Temperature

139.9

Sound Velocity

1,499.3

m/s

Homogeneity

0.3080

Related Tasks

Related computation task IDs (5)

aaadokow aaadwaeo aaadxfoa aaaeqlud aaafblfj

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1021516

Reference Citation

The crystal structure and related material properties of K2Sn were obtained from the Materials Project database (MP-ID: mp-1021516, 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_K2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11363674
_cell_length_b   6.11363674
_cell_length_c   6.11363674
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Sn
_chemical_formula_sum   'K2 Sn1'
_cell_volume   161.57861976
_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  0.25000000  0.25000000  0.25000000  1.0
  K  K1  1  0.75000000  0.75000000  0.75000000  1.0
  Sn  Sn2  1  0.00000000  0.00000000  0.00000000  1.0

Get direct link