SrSn3Sb4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-866805 · Space group: Pnma (#62)
Basic Information
Formula
SrSn3Sb4
MP-ID
mp-866805
Elements
3
Sites
32
Density
5.8694
g/cm³
Volume
1,053.34
ų
Cell a
4.4003
Å
Cell b
10.2078
Å
Cell c
23.4506
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pnma
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
oP
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 |
|---|---|---|---|
| 14.27 | 6.2062 | 11.0 | (0,1,3) |
| 15.11 | 5.8627 | 2.7 | (0,0,4) |
| 17.44 | 5.0839 | 20.5 | (0,1,4) |
| 18.96 | 4.6798 | 1.5 | (0,2,2) |
| 20.79 | 4.2736 | 2.3 | (0,2,3) |
| 20.84 | 4.2618 | 5.4 | (0,1,5) |
| 23.20 | 3.8345 | 2.8 | (1,0,3) |
| 23.28 | 3.8203 | 24.1 | (1,1,2) |
| 24.39 | 3.6500 | 1.3 | (0,1,6) |
| 24.80 | 3.5896 | 47.8 | (1,1,3) |
| 25.80 | 3.4535 | 87.8 | (0,2,5) |
| 26.47 | 3.3674 | 42.2 | (0,3,1) |
| 26.75 | 3.3327 | 9.1 | (1,2,0) |
| 26.80 | 3.3271 | 10.9 | (1,1,4) |
| 27.02 | 3.2996 | 100.0 | (1,2,1) |
| 27.80 | 3.2091 | 5.9 | (1,0,5) |
| 28.03 | 3.1831 | 10.9 | (0,1,7) |
| 28.61 | 3.1199 | 3.4 | (0,3,3) |
| 28.77 | 3.1031 | 21.7 | (0,2,6) |
| 29.13 | 3.0657 | 39.6 | (1,2,3) |
| 29.17 | 3.0613 | 88.2 | (1,1,5) |
| 30.37 | 2.9429 | 1.3 | (0,3,4) |
| 30.50 | 2.9313 | 62.7 | (0,0,8) |
| 30.86 | 2.8973 | 18.0 | (1,2,4) |
Energy Properties
Formation Energy/atom
-0.36728
eV/atom
Energy/atom
-4.14693
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-24.3503
eV/atom
Volume/atom
32.92
ų
c/a Ratio
5.3293
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
0.9743
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.1005
J/mol·K
Ω Parameter
4.1721
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
11.393%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3535
smaller = more stable mixing
VEC
4.250
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.500
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8869
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.510
Family
Sb-rich Multi-Component
Matrix Element
Sb · 0.500
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-866805
Reference Citation
The crystal structure and related material properties of SrSn3Sb4 were obtained from the Materials Project database (MP-ID: mp-866805, 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_SrSn3Sb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40029825
_cell_length_b 10.20782875
_cell_length_c 23.45062214
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrSn3Sb4
_chemical_formula_sum 'Sr4 Sn12 Sb16'
_cell_volume 1053.34310856
_cell_formula_units_Z 4
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
Sr Sr0 1 0.25000000 0.93934318 0.86893962 1.0
Sr Sr1 1 0.75000000 0.56065682 0.36893962 1.0
Sr Sr2 1 0.25000000 0.43934318 0.63106038 1.0
Sr Sr3 1 0.75000000 0.06065682 0.13106038 1.0
Sn Sn4 1 0.25000000 0.72302786 0.75000137 1.0
Sn Sn5 1 0.75000000 0.77697214 0.25000137 1.0
Sn Sn6 1 0.25000000 0.22302786 0.74999863 1.0
Sn Sn7 1 0.75000000 0.27697214 0.24999863 1.0
Sn Sn8 1 0.25000000 0.65145674 0.98805666 1.0
Sn Sn9 1 0.75000000 0.84854326 0.48805666 1.0
Sn Sn10 1 0.25000000 0.15145674 0.51194334 1.0
Sn Sn11 1 0.75000000 0.34854326 0.01194334 1.0
Sn Sn12 1 0.25000000 0.54035111 0.15081304 1.0
Sn Sn13 1 0.75000000 0.95964889 0.65081304 1.0
Sn Sn14 1 0.25000000 0.04035111 0.34918696 1.0
Sn Sn15 1 0.75000000 0.45964889 0.84918696 1.0
Sb Sb16 1 0.25000000 0.42932334 0.47201839 1.0
Sb Sb17 1 0.75000000 0.07067666 0.97201839 1.0
Sb Sb18 1 0.25000000 0.92932334 0.02798161 1.0
Sb Sb19 1 0.75000000 0.57067666 0.52798161 1.0
Sb Sb20 1 0.25000000 0.96321600 0.23306976 1.0
Sb Sb21 1 0.75000000 0.53678400 0.73306976 1.0
Sb Sb22 1 0.25000000 0.46321600 0.26693024 1.0
Sb Sb23 1 0.75000000 0.03678400 0.76693024 1.0
Sb Sb24 1 0.25000000 0.79142892 0.62797665 1.0
Sb Sb25 1 0.75000000 0.70857108 0.12797665 1.0
Sb Sb26 1 0.25000000 0.29142892 0.87202335 1.0
Sb Sb27 1 0.75000000 0.20857108 0.37202335 1.0
Sb Sb28 1 0.25000000 0.79835432 0.40732537 1.0
Sb Sb29 1 0.75000000 0.70164568 0.90732537 1.0
Sb Sb30 1 0.25000000 0.29835432 0.09267463 1.0
Sb Sb31 1 0.75000000 0.20164568 0.59267463 1.0
