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Sn2MoOsO6

High-Entropy Materials HEA

MP-ID: mp-1080738 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula
Sn2MoOsO6
MP-ID
mp-1080738
Elements
4
Sites
10
Density
7.7042
g/cm³
Volume
133.54
ų
Cell a
5.7374
Å
Cell b
5.7374
Å
Cell c
5.7374
Å
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
cF
Stability
No
Packing Fraction
0.7405

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 12)
2θd (Å)Ihkl
18.94 4.6845 7.7 (1,0,0)
21.91 4.0569 3.2 (1,1,0)
31.18 2.8687 100.0 (2,1,1)
36.74 2.4464 4.0 (2,2,1)
44.67 2.0285 29.5 (2,2,0)
48.93 1.8614 1.7 (3,2,2)
55.48 1.6562 40.9 (3,3,2)
59.17 1.5615 1.7 (3,2,0)
65.02 1.4343 18.5 (4,2,2)
68.40 1.3715 1.6 (4,2,1)
73.87 1.2829 18.3 (3,2,-1)
82.34 1.1711 6.4 (4,0,0)
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Energy Properties

Formation Energy/atom
-1.42875
eV/atom
Energy/atom
-7.40674
eV/atom
Energy above Hull
0.4422
eV/atom
Uncorrected Energy
-6.6743
eV/atom
Volume/atom
13.35
ų
c/a Ratio
1.0000

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.0099
μB
Mag. Ordering
FiM
Mag. Sites
2
Magnetization/Volume
0.000070
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.600
Element Family
Metalloid-Nonmetal
Solute Fraction
0.400
Interstitial Fraction
0.000

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
2.9453
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
44.229%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6748
smaller = more stable mixing
VEC
4.600
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
2.318
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7855
SS Former
0
Phase Tendency
IM

Related Tasks

Related computation task IDs (5)
aaadogen aaadvvcu aaadxgkv aaaepvdc aaafbaby

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1080738
Reference Citation

The crystal structure and related material properties of Sn2MoOsO6 were obtained from the Materials Project database (MP-ID: mp-1080738, 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
Raw CIF Data 
# generated using pymatgen
data_Sn2MoOsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73735836
_cell_length_b   5.73735836
_cell_length_c   5.73735836
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2MoOsO6
_chemical_formula_sum   'Sn2 Mo1 Os1 O6'
_cell_volume   133.54293986
_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  0.25000000  0.25000000  0.25000000  1.0
  Sn  Sn1  1  0.75000000  0.75000000  0.75000000  1.0
  Mo  Mo2  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os3  1  0.50000000  0.50000000  0.50000000  1.0
  O  O4  1  0.74200600  0.74200600  0.25799400  1.0
  O  O5  1  0.25799400  0.25799400  0.74200600  1.0
  O  O6  1  0.25799400  0.74200600  0.74200600  1.0
  O  O7  1  0.74200600  0.25799400  0.25799400  1.0
  O  O8  1  0.25799400  0.74200600  0.25799400  1.0
  O  O9  1  0.74200600  0.25799400  0.74200600  1.0
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