KSnOs
High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELAMP-ID: mp-631322 · Space group: F-43m (#216)
Basic Information
Formula
KSnOs
MP-ID
mp-631322
Elements
3
Sites
3
Density
7.6699
g/cm³
Volume
75.35
ų
Cell a
4.7410
Å
Cell b
4.7410
Å
Cell c
4.7410
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
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 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.97 | 3.8710 | 81.1 | (1,1,1) |
| 37.96 | 2.3705 | 100.0 | (2,1,1) |
| 44.83 | 2.0216 | 43.3 | (2,2,1) |
| 54.76 | 1.6762 | 17.3 | (2,2,0) |
| 60.16 | 1.5382 | 18.5 | (3,2,2) |
| 68.57 | 1.3686 | 35.6 | (3,3,2) |
| 73.38 | 1.2903 | 14.0 | (3,3,3) |
| 81.15 | 1.1852 | 11.4 | (4,2,2) |
| 85.72 | 1.1333 | 14.5 | (4,3,2) |
Energy Properties
Formation Energy/atom
1.11467
eV/atom
Energy/atom
-4.34143
eV/atom
Energy above Hull
1.3020
eV/atom
Uncorrected Energy
-4.3414
eV/atom
Volume/atom
25.12
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0268
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000360
μB/ų
Elastic Properties
KVRH
58.658
GPa
GVRH
15.074
GPa
Young's Modulus E
41.654
GPa
Poisson Ratio ν
0.382
Pugh Ratio K/G
3.891
Vickers Hardness Est.
0.000
GPa
Ductility
Brittle
Anisotropy
5.016
Lame λ
48.609
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
K · 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
1.8711
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
21.866%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6020
smaller = more stable mixing
VEC
4.333
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
6.749
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.230
Family
K-rich Multi-Component
Matrix Element
K · 0.333
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
5.0160
Homogeneous Poisson ν
0.3820
Debye Temperature
167.4
K
Sound Velocity
1,583.0
m/s
Homogeneity
0.3820
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-631322
Reference Citation
The crystal structure and related material properties of KSnOs were obtained from the Materials Project database (MP-ID: mp-631322, 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_KSnOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74097843
_cell_length_b 4.74097843
_cell_length_c 4.74097843
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSnOs
_chemical_formula_sum 'K1 Sn1 Os1'
_cell_volume 75.35098632
_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
K K0 1 0.50000000 0.50000000 0.50000000 1.0
Sn Sn1 1 0.00000000 0.00000000 0.00000000 1.0
Os Os2 1 0.75000000 0.75000000 0.75000000 1.0
