In15SnO24
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-867998 · Space group: R-3 (#148)
Basic Information
Formula
In15SnO24
MP-ID
mp-867998
Elements
3
Sites
40
Density
6.9746
g/cm³
Volume
529.73
ų
Cell a
8.8210
Å
Cell b
8.8210
Å
Cell c
8.8210
Å
α Angle
109.40
°
β Angle
109.40
°
γ Angle
109.40
°
Space Group
R-3
Point Group
-3
Crystal System
Trigonal
Bravais Lattice
hR
Stability
Yes
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 21.30 | 4.1708 | 2.6 | (1,0,1) |
| 21.30 | 4.1708 | 1.3 | (1,1,0) |
| 21.36 | 4.1600 | 7.6 | (2,0,-1) |
| 21.38 | 4.1565 | 3.3 | (2,-1,-1) |
| 30.29 | 2.9505 | 33.6 | (1,1,1) |
| 30.40 | 2.9403 | 100.0 | (3,-1,-1) |
| 35.21 | 2.5486 | 40.9 | (2,2,-2) |
| 37.38 | 2.4059 | 1.7 | (3,0,0) |
| 37.43 | 2.4025 | 3.7 | (3,1,-2) |
| 37.47 | 2.4004 | 1.6 | (3,-2,-2) |
| 41.44 | 2.1788 | 1.6 | (2,1,1) |
| 41.57 | 2.1727 | 1.5 | (4,-1,-1) |
| 41.60 | 2.1712 | 1.1 | (2,1,-4) |
| 41.60 | 2.1712 | 2.1 | (4,-1,-2) |
| 45.27 | 2.0031 | 2.9 | (3,1,0) |
| 45.34 | 2.0003 | 3.1 | (4,0,-1) |
| 45.41 | 1.9971 | 2.8 | (4,0,-3) |
| 45.42 | 1.9967 | 3.1 | (4,-1,-3) |
| 50.58 | 1.8045 | 25.7 | (4,0,0) |
| 50.72 | 1.7998 | 25.3 | (4,0,-4) |
| 52.37 | 1.7471 | 1.6 | (5,-1,-2) |
| 55.52 | 1.6552 | 1.2 | (3,3,-2) |
| 55.58 | 1.6536 | 3.0 | (5,0,-2) |
| 55.62 | 1.6525 | 1.8 | (5,0,-3) |
Energy Properties
Formation Energy/atom
-1.99546
eV/atom
Energy/atom
-6.09917
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-14.5115
eV/atom
Volume/atom
13.24
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
0.0000
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
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
0.7665
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.3729
J/mol·K
Ω Parameter
35.1182
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
50.768%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.8082
smaller = more stable mixing
VEC
3.625
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.038
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6977
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.635
Family
O-rich Multi-Component
Matrix Element
O · 0.600
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-867998
Reference Citation
The crystal structure and related material properties of In15SnO24 were obtained from the Materials Project database (MP-ID: mp-867998, 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_In15SnO24
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.82101893
_cell_length_b 8.82101893
_cell_length_c 8.82101959
_cell_angle_alpha 109.40133012
_cell_angle_beta 109.40133009
_cell_angle_gamma 109.40132880
_symmetry_Int_Tables_number 1
_chemical_formula_structural In15SnO24
_chemical_formula_sum 'In15 Sn1 O24'
_cell_volume 529.72825201
_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
In In0 1 0.96580564 0.75001071 0.21747287 1.0
In In1 1 0.71556100 0.46669131 0.74944326 1.0
In In2 1 0.78252713 0.03419436 0.24998929 1.0
In In3 1 0.24998929 0.78252713 0.03419436 1.0
In In4 1 0.25055674 0.28443900 0.53330869 1.0
In In5 1 0.50000000 0.50000000 -0.00000000 1.0
In In6 1 0.53330869 0.25055674 0.28443900 1.0
In In7 1 -0.00000000 0.50000000 0.50000000 1.0
In In8 1 0.46669131 0.74944326 0.71556100 1.0
In In9 1 0.50000000 -0.00000000 0.50000000 1.0
In In10 1 0.74944326 0.71556100 0.46669131 1.0
In In11 1 0.75001071 0.21747287 0.96580564 1.0
In In12 1 0.28443900 0.53330869 0.25055674 1.0
In In13 1 0.21747287 0.96580564 0.75001071 1.0
In In14 1 0.03419436 0.24998929 0.78252713 1.0
Sn Sn15 1 -0.00000000 -0.00000000 -0.00000000 1.0
O O16 1 0.04626116 0.03975167 0.26325609 1.0
O O17 1 0.45542501 0.22729103 0.49329165 1.0
O O18 1 0.72954700 0.77448141 0.23612124 1.0
O O19 1 0.03975167 0.26325609 0.04626116 1.0
O O20 1 0.53396902 0.99220585 0.26172483 1.0
O O21 1 0.22729103 0.49329165 0.45542501 1.0
O O22 1 0.76387876 0.27045300 0.22551859 1.0
O O23 1 0.73827517 0.46603098 0.00779415 1.0
O O24 1 0.50670835 0.54457499 0.77270897 1.0
O O25 1 0.26325609 0.04626116 0.03975167 1.0
O O26 1 0.22551859 0.76387876 0.27045300 1.0
O O27 1 0.99220585 0.26172483 0.53396902 1.0
O O28 1 0.00779415 0.73827517 0.46603098 1.0
O O29 1 0.49329165 0.45542501 0.22729103 1.0
O O30 1 0.77448141 0.23612124 0.72954700 1.0
O O31 1 0.73674391 0.95373884 0.96024833 1.0
O O32 1 0.23612124 0.72954700 0.77448141 1.0
O O33 1 0.26172483 0.53396902 0.99220585 1.0
O O34 1 0.46603098 0.00779415 0.73827517 1.0
O O35 1 0.77270897 0.50670835 0.54457499 1.0
O O36 1 0.27045300 0.22551859 0.76387876 1.0
O O37 1 0.96024833 0.73674391 0.95373884 1.0
O O38 1 0.54457499 0.77270897 0.50670835 1.0
O O39 1 0.95373884 0.96024833 0.73674391 1.0
