SnOs2Ru

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-631946 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

SnOs2Ru

MP-ID

mp-631946

Elements

Sites

Density

15.6449

g/cm³

Volume

63.71

Å³

Cell a

4.4830

Cell b

4.4830

Cell c

4.4830

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

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 8)

2θ	d (Å)	I	hkl
24.32	3.6604	7.4	(1,1,1)
40.23	2.2415	100.0	(2,1,1)
47.57	1.9116	3.9	(2,2,1)
58.21	1.5850	17.1	(2,2,0)
64.01	1.4545	1.7	(3,2,2)
73.13	1.2941	35.2	(3,3,2)
78.37	1.2201	1.2	(3,3,3)
86.92	1.1208	11.6	(4,2,2)

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Energy Properties

Formation Energy/atom

0.60486

eV/atom

Energy/atom

-38.43043

eV/atom

Energy above Hull

0.6698

eV/atom

Uncorrected Energy

-8.3427

eV/atom

Volume/atom

15.93

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.8680

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.029320

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Os · 0.500

Element Family

5d-TM

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

2.0004

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

5.106%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1039

smaller = more stable mixing

VEC

7.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

10.505

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.309

Family

Os-rich Multi-Component

Matrix Element

Os · 0.500

Related Tasks

Related computation task IDs (5)

aaadnzhz aaadwprj aaadyapq aaaetfte aaafczbb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-631946

Reference Citation

The crystal structure and related material properties of SnOs2Ru were obtained from the Materials Project database (MP-ID: mp-631946, 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…

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Raw CIF Data

# generated using pymatgen
data_SnOs2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48303861
_cell_length_b   4.48303861
_cell_length_c   4.48303861
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnOs2Ru
_chemical_formula_sum   'Sn1 Os2 Ru1'
_cell_volume   63.70924219
_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
  Sn  Sn0  1  0.50000000  0.50000000  0.50000000  1.0
  Os  Os1  1  0.25000000  0.25000000  0.25000000  1.0
  Os  Os2  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru3  1  0.75000000  0.75000000  0.75000000  1.0

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