SnSb3Mo2
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-3201709 · Space group: Cm (#8)
Basic Information
Formula
SnSb3Mo2
MP-ID
mp-3201709
Elements
3
Sites
6
Density
8.7513
g/cm³
Volume
128.25
ų
Cell a
5.3194
Å
Cell b
5.3194
Å
Cell c
8.1847
Å
α Angle
117.48
°
β Angle
117.48
°
γ Angle
39.44
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
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 |
|---|---|---|---|
| 12.41 | 7.1338 | 3.9 | (0,0,1) |
| 17.89 | 4.9593 | 16.4 | (1,1,-1) |
| 20.35 | 4.3644 | 4.5 | (1,1,0) |
| 24.96 | 3.5669 | 10.2 | (0,0,2) |
| 26.85 | 3.3203 | 3.8 | (1,0,0) |
| 27.43 | 3.2511 | 4.6 | (1,0,-1) |
| 28.74 | 3.1063 | 14.8 | (1,1,1) |
| 31.78 | 2.8160 | 81.1 | (1,0,1) |
| 31.78 | 2.8160 | 81.1 | (0,1,1) |
| 32.89 | 2.7229 | 51.5 | (1,1,-3) |
| 33.26 | 2.6937 | 100.0 | (1,0,-2) |
| 36.23 | 2.4797 | 52.9 | (2,2,-2) |
| 36.69 | 2.4495 | 11.6 | (2,2,-1) |
| 36.85 | 2.4389 | 44.0 | (2,1,-1) |
| 36.85 | 2.4389 | 44.0 | (1,2,-1) |
| 37.83 | 2.3779 | 62.7 | (0,0,3) |
| 38.16 | 2.3581 | 16.1 | (2,1,-2) |
| 38.16 | 2.3581 | 16.1 | (1,2,-2) |
| 39.88 | 2.2605 | 33.2 | (2,1,0) |
| 39.88 | 2.2605 | 33.2 | (1,2,0) |
| 40.11 | 2.2479 | 33.2 | (2,2,-3) |
| 40.42 | 2.2316 | 27.2 | (1,0,2) |
| 40.42 | 2.2316 | 27.2 | (0,1,2) |
| 41.38 | 2.1822 | 57.2 | (2,2,0) |
Energy Properties
Formation Energy/atom
-0.00782
eV/atom
Energy/atom
-25.67600
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-25.6760
eV/atom
Volume/atom
21.37
ų
c/a Ratio
1.5387
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
Sb · 0.500
Element Family
PostTransition-Noble
Solute Fraction
0.500
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0114
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.4088
J/mol·K
Ω Parameter
0.5952
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
2.863%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.0701
smaller = more stable mixing
VEC
5.167
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
21.213
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9206
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.518
Family
Sb-rich Multi-Component
Matrix Element
Sb · 0.500
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3201709
Reference Citation
The crystal structure and related material properties of SnSb3Mo2 were obtained from the Materials Project database (MP-ID: mp-3201709, 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
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_SnSb3Mo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31936105
_cell_length_b 5.31936060
_cell_length_c 8.18472606
_cell_angle_alpha 117.48117133
_cell_angle_beta 117.48116856
_cell_angle_gamma 39.44461552
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnSb3Mo2
_chemical_formula_sum 'Sn1 Sb3 Mo2'
_cell_volume 128.24553525
_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 0.15006191 0.15006191 0.04203822 1.0
Sb Sb1 1 0.59544562 0.59544562 0.38788760 1.0
Sb Sb2 1 0.40625930 0.40625930 0.61096304 1.0
Sb Sb3 1 0.84343113 0.84343113 0.95684291 1.0
Mo Mo4 1 0.85140201 0.85140201 0.31439614 1.0
Mo Mo5 1 0.15339903 0.15339903 0.68787109 1.0
