Sr12In5Sn7Au12
High-Entropy Materials HEAMP-ID: mp-3292769 · Space group: Pm (#6)
Basic Information
Formula
Sr12In5Sn7Au12
MP-ID
mp-3292769
Elements
4
Sites
36
Density
8.3478
g/cm³
Volume
958.81
ų
Cell a
4.8394
Å
Cell b
8.3986
Å
Cell c
23.5905
Å
α Angle
90.09
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mP
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 |
|---|---|---|---|
| 15.42 | 5.7446 | 6.3 | (0,1,-3) |
| 15.45 | 5.7357 | 6.3 | (0,1,3) |
| 21.16 | 4.1993 | 7.8 | (0,2,0) |
| 21.19 | 4.1931 | 15.8 | (1,1,0) |
| 21.49 | 4.1354 | 3.0 | (0,2,-1) |
| 21.50 | 4.1332 | 2.8 | (0,2,1) |
| 21.52 | 4.1289 | 4.4 | (1,1,-1) |
| 21.53 | 4.1278 | 4.5 | (1,1,1) |
| 22.62 | 3.9317 | 40.1 | (0,0,6) |
| 24.04 | 3.7011 | 1.0 | (1,1,-3) |
| 24.06 | 3.6987 | 1.0 | (1,1,3) |
| 28.43 | 3.1392 | 2.7 | (0,2,-5) |
| 28.47 | 3.1354 | 4.5 | (1,1,-5) |
| 28.48 | 3.1344 | 2.6 | (0,2,5) |
| 28.49 | 3.1330 | 4.9 | (1,1,5) |
| 30.38 | 2.9426 | 15.0 | (1,2,-3) |
| 30.40 | 2.9402 | 15.1 | (1,2,3) |
| 31.14 | 2.8723 | 23.1 | (0,2,-6) |
| 31.17 | 2.8692 | 56.1 | (1,1,-6) |
| 31.19 | 2.8679 | 23.7 | (0,2,6) |
| 31.20 | 2.8670 | 54.3 | (1,1,6) |
| 33.98 | 2.6387 | 1.6 | (0,3,-3) |
| 34.01 | 2.6361 | 1.6 | (0,3,3) |
| 34.12 | 2.6278 | 1.4 | (1,1,-7) |
Energy Properties
Formation Energy/atom
-0.78404
eV/atom
Energy/atom
-30.64192
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-30.6419
eV/atom
Volume/atom
26.63
ų
c/a Ratio
4.8747
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0009
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
Sr · 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
1.3250
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0161
J/mol·K
Ω Parameter
1.8178
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.514%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6545
smaller = more stable mixing
VEC
5.528
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-5.779
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9558
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3292769
Reference Citation
The crystal structure and related material properties of Sr12In5Sn7Au12 were obtained from the Materials Project database (MP-ID: mp-3292769, 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…
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Raw CIF Data
# generated using pymatgen
data_Sr12In5Sn7Au12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83937638
_cell_length_b 8.39857426
_cell_length_c 23.59047312
_cell_angle_alpha 90.08863537
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr12In5Sn7Au12
_chemical_formula_sum 'Sr12 In5 Sn7 Au12'
_cell_volume 958.80678365
_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
Sr Sr0 1 0.75000000 0.20758585 0.49791609 1.0
Sr Sr1 1 0.25000000 0.78932098 0.16701190 1.0
Sr Sr2 1 0.25000000 0.79355094 0.50250196 1.0
Sr Sr3 1 0.25000000 0.78900805 0.83465845 1.0
Sr Sr4 1 0.25000000 0.71043890 0.33430920 1.0
Sr Sr5 1 0.75000000 0.21122556 0.83365819 1.0
Sr Sr6 1 0.75000000 0.29295033 0.99794217 1.0
Sr Sr7 1 0.75000000 0.28972487 0.66509901 1.0
Sr Sr8 1 0.75000000 0.29083209 0.33358818 1.0
Sr Sr9 1 0.25000000 0.70909616 0.66703565 1.0
Sr Sr10 1 0.25000000 0.70649666 0.00322769 1.0
Sr Sr11 1 0.75000000 0.21178326 0.16503740 1.0
In In12 1 0.25000000 0.42087887 0.56393115 1.0
In In13 1 0.25000000 0.08123994 0.39825741 1.0
In In14 1 0.25000000 0.07837569 0.06338880 1.0
In In15 1 0.25000000 0.41908589 0.89798230 1.0
In In16 1 0.75000000 0.58233539 0.10222808 1.0
Sn Sn17 1 0.25000000 0.41704514 0.76759642 1.0
Sn Sn18 1 0.75000000 0.58259879 0.23226246 1.0
Sn Sn19 1 0.75000000 0.58059218 0.43794621 1.0
Sn Sn20 1 0.75000000 0.92053798 0.93634885 1.0
Sn Sn21 1 0.25000000 0.08414806 0.26794898 1.0
Sn Sn22 1 0.75000000 0.91612923 0.60247254 1.0
Sn Sn23 1 0.75000000 0.91802394 0.73129837 1.0
Au Au24 1 0.25000000 0.09043594 0.59077803 1.0
Au Au25 1 0.25000000 0.08591892 0.74068954 1.0
Au Au26 1 0.75000000 0.58989753 0.90845877 1.0
Au Au27 1 0.75000000 0.91065163 0.40957324 1.0
Au Au28 1 0.75000000 0.58296449 0.56737307 1.0
Au Au29 1 0.75000000 0.58553232 0.75921105 1.0
Au Au30 1 0.25000000 0.41178840 0.43130812 1.0
Au Au31 1 0.25000000 0.41520109 0.24108482 1.0
Au Au32 1 0.75000000 0.91346818 0.06815955 1.0
Au Au33 1 0.25000000 0.40869117 0.09041372 1.0
Au Au34 1 0.25000000 0.08775738 0.92952191 1.0
Au Au35 1 0.75000000 0.91468918 0.25977971 1.0
