Basic Information
Formula
Sr11Al4In3
MP-ID
mp-642031
Elements
3
Sites
36
Density
3.4636
g/cm³
Volume
1,357.93
ų
Cell a
12.4298
Å
Cell b
12.4298
Å
Cell c
12.4298
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
Fm-3m
Point Group
m-3m
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 8.71 | 10.1489 | 3.6 | (1,1,1) |
| 10.06 | 8.7892 | 7.8 | (1,1,0) |
| 14.25 | 6.2149 | 4.9 | (2,1,1) |
| 17.48 | 5.0745 | 8.2 | (2,2,2) |
| 20.21 | 4.3946 | 1.5 | (2,2,0) |
| 22.62 | 3.9307 | 2.1 | (3,2,1) |
| 24.81 | 3.5882 | 4.6 | (3,3,2) |
| 26.34 | 3.3830 | 100.0 | (3,3,3) |
| 28.73 | 3.1075 | 59.0 | (4,2,2) |
| 30.08 | 2.9713 | 64.4 | (4,3,2) |
| 30.51 | 2.9297 | 81.2 | (4,1,1) |
| 33.43 | 2.6807 | 11.3 | (4,4,3) |
| 33.82 | 2.6500 | 16.4 | (2,2,-2) |
| 36.50 | 2.4615 | 2.7 | (5,2,2) |
| 36.87 | 2.4377 | 5.8 | (5,3,2) |
| 38.32 | 2.3490 | 4.0 | (5,4,3) |
| 39.37 | 2.2885 | 24.0 | (5,4,2) |
| 41.08 | 2.1973 | 9.2 | (4,4,0) |
| 42.40 | 2.1317 | 3.1 | (5,5,4) |
| 43.69 | 2.0716 | 25.8 | (5,5,2) |
| 44.64 | 2.0298 | 9.3 | (5,5,5) |
| 44.96 | 2.0164 | 1.7 | (6,2,2) |
| 46.19 | 1.9653 | 3.7 | (6,4,2) |
| 47.10 | 1.9295 | 13.7 | (6,5,4) |
Energy Properties
Formation Energy/atom
-0.25608
eV/atom
Energy/atom
-2.58256
eV/atom
Energy above Hull
0.0028
eV/atom
Uncorrected Energy
-2.5826
eV/atom
Volume/atom
37.72
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
0.1648
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000120
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.611
Element Family
Alkali-AlkEarth
Solute Fraction
0.389
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9338
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.7638
J/mol·K
Ω Parameter
24.1257
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.170%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3611
smaller = more stable mixing
VEC
2.389
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-0.296
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8500
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-642031
Reference Citation
The crystal structure and related material properties of Sr11Al4In3 were obtained from the Materials Project database (MP-ID: mp-642031, 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_Sr11Al4In3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.42980726
_cell_length_b 12.42980726
_cell_length_c 12.42980726
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr11Al4In3
_chemical_formula_sum 'Sr22 Al8 In6'
_cell_volume 1357.93250757
_cell_formula_units_Z 2
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 0.60658700 0.13113800 0.13113800 1.0
Sr Sr1 1 0.86886200 0.86886200 0.39341300 1.0
Sr Sr2 1 0.13113800 0.13113800 0.13113800 1.0
Sr Sr3 1 0.86886200 0.39341300 0.86886200 1.0
Sr Sr4 1 0.86886200 0.86886200 0.86886200 1.0
Sr Sr5 1 0.16418800 0.83581200 0.50000000 1.0
Sr Sr6 1 0.83581200 0.50000000 0.50000000 1.0
Sr Sr7 1 0.83581200 0.16418800 0.50000000 1.0
Sr Sr8 1 0.13113800 0.60658700 0.13113800 1.0
Sr Sr9 1 0.16418800 0.50000000 0.83581200 1.0
Sr Sr10 1 0.50000000 0.16418800 0.83581200 1.0
Sr Sr11 1 0.13113800 0.13113800 0.60658700 1.0
Sr Sr12 1 0.00000000 0.00000000 0.00000000 1.0
Sr Sr13 1 0.16418800 0.50000000 0.50000000 1.0
Sr Sr14 1 0.39341300 0.86886200 0.86886200 1.0
Sr Sr15 1 0.83581200 0.50000000 0.16418800 1.0
Sr Sr16 1 0.50000000 0.83581200 0.16418800 1.0
Sr Sr17 1 0.50000000 0.83581200 0.50000000 1.0
Sr Sr18 1 0.50000000 0.50000000 0.16418800 1.0
Sr Sr19 1 0.50000000 0.50000000 0.50000000 1.0
Sr Sr20 1 0.50000000 0.50000000 0.83581200 1.0
Sr Sr21 1 0.50000000 0.16418800 0.50000000 1.0
Al Al22 1 0.91567400 0.69477500 0.69477500 1.0
Al Al23 1 0.30522500 0.30522500 0.30522500 1.0
Al Al24 1 0.69477500 0.69477500 0.69477500 1.0
Al Al25 1 0.69477500 0.91567400 0.69477500 1.0
Al Al26 1 0.69477500 0.69477500 0.91567400 1.0
Al Al27 1 0.30522500 0.08432600 0.30522500 1.0
Al Al28 1 0.30522500 0.30522500 0.08432600 1.0
Al Al29 1 0.08432600 0.30522500 0.30522500 1.0
In In30 1 0.78169200 0.21830800 0.78169200 1.0
In In31 1 0.78169200 0.21830800 0.21830800 1.0
In In32 1 0.78169200 0.78169200 0.21830800 1.0
In In33 1 0.21830800 0.78169200 0.78169200 1.0
In In34 1 0.21830800 0.78169200 0.21830800 1.0
In In35 1 0.21830800 0.21830800 0.78169200 1.0
