SrCuSn2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30598 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

SrCuSn2

MP-ID

mp-30598

Elements

Sites

Density

6.3250

g/cm³

Volume

204.04

Å³

Cell a

4.5525

Cell b

4.6253

Cell c

9.9621

α Angle

103.42

β Angle

90.00

γ Angle

90.00

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
9.13	9.6899	8.5	(0,0,1)
18.31	4.8450	6.6	(0,0,2)
19.73	4.4990	12.1	(0,1,0)
21.57	4.1204	1.6	(1,0,1)
23.66	3.7607	3.5	(0,1,1)
27.62	3.2300	5.8	(0,0,3)
27.88	3.2000	1.5	(1,1,0)
30.08	2.9708	18.5	(0,1,2)
30.84	2.8994	100.0	(1,1,1)
34.03	2.6343	23.1	(1,0,3)
36.10	2.4879	2.3	(1,1,2)
36.10	2.4879	2.3	(1,1,-3)
38.94	2.3127	28.0	(0,2,-1)
39.59	2.2762	26.8	(2,0,0)
42.26	2.1386	11.8	(1,0,4)
42.94	2.1060	25.3	(1,1,3)
43.35	2.0871	1.6	(0,2,1)
43.95	2.0602	1.6	(2,0,2)
44.61	2.0311	3.1	(2,1,0)
46.52	1.9521	11.8	(0,1,4)
46.64	1.9473	1.3	(2,1,1)
46.88	1.9380	2.5	(0,0,5)
48.41	1.8804	1.3	(0,2,2)
48.41	1.8804	1.3	(0,2,-4)

Get direct link

Energy Properties

Formation Energy/atom

-0.42304

eV/atom

Energy/atom

-3.87574

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.3270

eV/atom

Volume/atom

25.50

Å³

c/a Ratio

2.1883

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

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

47.714

GPa

G_VRH

24.239

GPa

Young's Modulus E

62.187

GPa

Poisson Ratio ν

0.283

Pugh Ratio K/G

1.968

Vickers Hardness Est.

2.846

GPa

Ductility

Brittle

Anisotropy

0.384

Lame λ

31.555

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

1.8467

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.681%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4294

smaller = more stable mixing

VEC

5.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.634

Family

Sn-rich Multi-Component

Matrix Element

Sn · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3840

Homogeneous Poisson ν

0.2830

Debye Temperature

240.2

Sound Velocity

2,181.9

m/s

Homogeneity

0.2830

Related Tasks

Related computation task IDs (5)

aaadndou aaadstqr aaaemdnh aaaeucty aaafcpva

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30598

Reference Citation

The crystal structure and related material properties of SrCuSn2 were obtained from the Materials Project database (MP-ID: mp-30598, 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_SrCuSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55246154
_cell_length_b   4.62532176
_cell_length_c   9.96209072
_cell_angle_alpha   103.42345388
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuSn2
_chemical_formula_sum   'Sr2 Cu2 Sn4'
_cell_volume   204.03709377
_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
  Sr  Sr0  1  0.75000000  0.39192590  0.78385281  1.0
  Sr  Sr1  1  0.25000000  0.60807410  0.21614719  1.0
  Cu  Cu2  1  0.75000000  0.17586020  0.35171940  1.0
  Cu  Cu3  1  0.25000000  0.82413980  0.64828060  1.0
  Sn  Sn4  1  0.25000000  0.24962574  0.49924949  1.0
  Sn  Sn5  1  0.25000000  0.95668231  0.91336462  1.0
  Sn  Sn6  1  0.75000000  0.75037426  0.50075051  1.0
  Sn  Sn7  1  0.75000000  0.04331769  0.08663538  1.0

Get direct link