SrSnHg

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1019259 · Space group: P6_3mc (#186)

Materials Project API

Basic Information

Formula

SrSnHg

MP-ID

mp-1019259

Elements

Sites

Density

7.6798

g/cm³

Volume

175.97

Å³

Cell a

4.9453

Cell b

4.9422

Cell c

8.3154

α Angle

90.00

β Angle

90.00

γ Angle

120.02

Space Group

P6_3mc

Point Group

6mm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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
20.74	4.2819	23.0	(1,0,-1,0)
20.76	4.2792	11.6	(0,1,-1,0)
21.37	4.1577	84.4	(0,0,0,2)
23.37	3.8068	62.1	(1,0,-1,1)
23.38	3.8049	31.1	(0,1,-1,1)
29.96	2.9829	99.9	(1,-1,0,2)
29.96	2.9829	99.9	(1,0,-1,2)
29.97	2.9820	100.0	(0,1,-1,2)
36.33	2.4727	95.9	(2,-1,-1,0)
36.36	2.4711	95.7	(1,-2,1,0)
36.36	2.4711	95.7	(1,1,-2,0)
38.70	2.3268	73.6	(1,0,-1,3)
38.71	2.3264	36.6	(0,1,-1,3)
42.21	2.1409	2.1	(2,-2,0,0)
42.21	2.1409	2.1	(2,0,-2,0)
42.24	2.1396	2.0	(0,2,-2,0)
42.54	2.1252	30.1	(2,-1,-1,2)
42.56	2.1242	30.1	(1,-2,1,2)
42.56	2.1242	30.1	(1,1,-2,2)
43.53	2.0789	24.7	(0,0,0,4)
43.66	2.0733	6.3	(2,-2,0,1)
43.66	2.0733	6.3	(2,0,-2,1)
43.68	2.0721	6.2	(0,2,-2,1)
47.79	1.9034	27.8	(2,-2,0,2)

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Energy Properties

Formation Energy/atom

-0.54881

eV/atom

Energy/atom

-2.55270

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.3787

eV/atom

Volume/atom

29.33

Å³

c/a Ratio

1.6815

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

36.162

GPa

G_VRH

21.448

GPa

Young's Modulus E

53.723

GPa

Poisson Ratio ν

0.252

Pugh Ratio K/G

1.686

Vickers Hardness Est.

3.523

GPa

Ductility

Ductile

Anisotropy

0.679

Lame λ

21.863

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.333

Element Family

Alkali-AlkEarth

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

1.0495

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

13.804%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4858

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-5.191

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.390

Family

Sr-rich Multi-Component

Matrix Element

Sr · 0.333

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.6790

Homogeneous Poisson ν

0.2520

Debye Temperature

194.2

Sound Velocity

1,855.8

m/s

Homogeneity

0.2520

Related Tasks

Related computation task IDs (5)

aaadmllj aaadszti aaaelvkj aaaeujwb aaafjglz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1019259

Reference Citation

The crystal structure and related material properties of SrSnHg were obtained from the Materials Project database (MP-ID: mp-1019259, 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_SrSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94529768
_cell_length_b   4.94222037
_cell_length_c   8.31539394
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.02061298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrSnHg
_chemical_formula_sum   'Sr2 Sn2 Hg2'
_cell_volume   175.96964629
_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  0.00017610  0.00035220  0.75190258  1.0
  Sr  Sr1  1  -0.00017610  -0.00035220  0.25190258  1.0
  Sn  Sn2  1  0.66670124  0.33340249  0.96957446  1.0
  Sn  Sn3  1  0.33329876  0.66659751  0.46957446  1.0
  Hg  Hg4  1  0.66671624  0.33343249  0.54852296  1.0
  Hg  Hg5  1  0.33328376  0.66656651  0.04852296  1.0

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