Sr6Sn2NO

High-Entropy Materials HEA Elasticity Data ELA

MP-ID: mp-989540 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Sr6Sn2NO

MP-ID

mp-989540

Elements

Sites

Density

4.6352

g/cm³

Volume

284.14

Å³

Cell a

7.3793

Cell b

7.3793

Cell c

7.3793

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

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 11)

2θ	d (Å)	I	hkl
24.12	3.6897	4.3	(2,1,1)
29.65	3.0126	100.0	(2,2,2)
34.37	2.6090	59.7	(2,2,0)
42.43	2.1302	1.9	(3,3,2)
49.40	1.8448	42.1	(4,2,2)
58.68	1.5733	44.2	(4,4,2)
61.57	1.5063	14.4	(4,4,4)
67.12	1.3946	1.0	(5,4,3)
72.45	1.3045	6.7	(4,4,0)
80.18	1.1971	18.6	(6,4,4)
82.71	1.1668	19.2	(6,4,2)

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Energy Properties

Formation Energy/atom

-1.15869

eV/atom

Energy/atom

-4.30469

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-4.2360

eV/atom

Volume/atom

28.41

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0347

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000120

μB/Å³

Elastic Properties

K_VRH

43.347

GPa

G_VRH

28.342

GPa

Young's Modulus E

69.811

GPa

Poisson Ratio ν

0.232

Pugh Ratio K/G

1.529

Vickers Hardness Est.

5.606

GPa

Ductility

Ductile

Anisotropy

0.346

Lame λ

24.452

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sr · 0.600

Element Family

Alkali-AlkEarth

Solute Fraction

0.400

Interstitial Fraction

0.100

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0889

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.0531

J/mol·K

Ω Parameter

2.0667

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

31.654%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.9084

smaller = more stable mixing

VEC

2.900

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.254

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7855

SS Former

Phase Tendency

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3460

Homogeneous Poisson ν

0.2320

Debye Temperature

391.9

Sound Velocity

2,739.4

m/s

Homogeneity

0.2320

Related Tasks

Related computation task IDs (3)

aaaceimc aaadawyq aaaduqfa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-989540

Reference Citation

The crystal structure and related material properties of Sr6Sn2NO were obtained from the Materials Project database (MP-ID: mp-989540, 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_Sr6Sn2NO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37933808
_cell_length_b   7.37933808
_cell_length_c   7.37933808
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr6Sn2NO
_chemical_formula_sum   'Sr6 Sn2 N1 O1'
_cell_volume   284.14317317
_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
  Sr  Sr0  1  0.24796400  0.75203600  0.75203600  1.0
  Sr  Sr1  1  0.24796400  0.75203600  0.24796400  1.0
  Sr  Sr2  1  0.75203600  0.24796400  0.75203600  1.0
  Sr  Sr3  1  0.75203600  0.75203600  0.24796400  1.0
  Sr  Sr4  1  0.24796400  0.24796400  0.75203600  1.0
  Sr  Sr5  1  0.75203600  0.24796400  0.24796400  1.0
  Sn  Sn6  1  0.25000000  0.25000000  0.25000000  1.0
  Sn  Sn7  1  0.75000000  0.75000000  0.75000000  1.0
  N  N8  1  0.00000000  0.00000000  0.00000000  1.0
  O  O9  1  0.50000000  0.50000000  0.50000000  1.0

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