SrNiSn2

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-862750 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

SrNiSn2

MP-ID

mp-862750

Elements

Sites

Density

6.5274

g/cm³

Volume

195.24

Å³

Cell a

4.5502

Cell b

4.6158

Cell c

9.5782

α Angle

76.06

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
9.51	9.2960	11.3	(0,0,1)
19.09	4.6480	6.3	(0,0,2)
19.82	4.4798	11.1	(0,1,0)
21.75	4.0869	1.4	(1,0,1)
24.04	3.7018	3.5	(0,1,-1)
27.95	3.1923	1.6	(1,1,0)
28.81	3.0987	8.2	(0,0,3)
30.88	2.8957	16.1	(0,1,-2)
31.15	2.8716	100.0	(1,1,-1)
35.04	2.5612	24.8	(1,0,3)
36.79	2.4429	2.9	(1,1,-2)
39.03	2.3079	28.5	(0,2,1)
39.13	2.3021	2.3	(0,1,-3)
39.61	2.2751	27.3	(2,0,0)
43.74	2.0697	7.3	(1,0,4)
43.80	2.0671	1.7	(0,2,-1)
44.09	2.0542	21.6	(1,1,-3)
44.33	2.0434	1.6	(2,0,2)
44.67	2.0285	2.9	(2,1,0)
46.87	1.9383	1.3	(2,1,-1)
48.27	1.8856	10.6	(0,1,-4)
48.99	1.8592	1.9	(0,0,5)
49.23	1.8509	3.9	(0,2,-2)
49.72	1.8339	3.8	(2,0,3)

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Energy Properties

Formation Energy/atom

-0.48099

eV/atom

Energy/atom

-4.35392

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-19.6649

eV/atom

Volume/atom

24.40

Å³

c/a Ratio

2.1050

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0004

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

57.570

GPa

G_VRH

27.429

GPa

Young's Modulus E

71.010

GPa

Poisson Ratio ν

0.294

Pugh Ratio K/G

2.099

Vickers Hardness Est.

2.830

GPa

Ductility

Brittle

Anisotropy

0.451

Lame λ

39.284

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

0.9096

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

17.525%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4306

smaller = more stable mixing

VEC

5.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-9.000

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

0.4510

Homogeneous Poisson ν

0.2940

Debye Temperature

256.0

Sound Velocity

2,288.1

m/s

Homogeneity

0.2940

Related Tasks

Related computation task IDs (5)

aaachuaf aaadubjq aaaekpcj aaaeqimx aaafbhrk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-862750

Reference Citation

The crystal structure and related material properties of SrNiSn2 were obtained from the Materials Project database (MP-ID: mp-862750, 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_SrNiSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55017116
_cell_length_b   4.61577782
_cell_length_c   9.57818272
_cell_angle_alpha   76.05722418
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNiSn2
_chemical_formula_sum   'Sr2 Ni2 Sn4'
_cell_volume   195.23954282
_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  0.25000100  0.89103985  0.21792129  1.0
  Sr  Sr1  1  0.75000000  0.10895915  0.78207871  1.0
  Ni  Ni2  1  0.75000000  0.31738663  0.36522475  1.0
  Ni  Ni3  1  0.25000100  0.68261237  0.63477425  1.0
  Sn  Sn4  1  0.75000000  0.45276716  0.09446568  1.0
  Sn  Sn5  1  0.25000100  0.25058126  0.49883647  1.0
  Sn  Sn6  1  0.75000000  0.74941774  0.50116453  1.0
  Sn  Sn7  1  0.25000100  0.54723184  0.90553432  1.0

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