Basic Information
Formula
Sr11In3Ga4
MP-ID
mp-642418
Elements
3
Sites
36
Density
4.0200
g/cm³
Volume
1,311.22
ų
Cell a
12.2856
Å
Cell b
12.2856
Å
Cell c
12.2856
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
Yes
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 |
|---|---|---|---|
| 8.82 | 10.0312 | 1.1 | (1,0,0) |
| 8.82 | 10.0312 | 1.1 | (0,1,0) |
| 8.82 | 10.0312 | 1.1 | (0,0,1) |
| 8.82 | 10.0311 | 1.1 | (1,1,1) |
| 10.18 | 8.6873 | 5.9 | (1,1,0) |
| 17.68 | 5.0156 | 8.7 | (2,0,0) |
| 17.68 | 5.0156 | 8.7 | (0,2,0) |
| 17.68 | 5.0156 | 8.7 | (0,0,2) |
| 17.68 | 5.0155 | 8.7 | (2,2,2) |
| 20.45 | 4.3436 | 2.2 | (2,2,0) |
| 20.45 | 4.3436 | 4.3 | (2,0,2) |
| 25.11 | 3.5466 | 2.0 | (3,1,0) |
| 25.11 | 3.5466 | 2.0 | (1,0,3) |
| 26.66 | 3.3437 | 33.7 | (3,0,0) |
| 26.66 | 3.3437 | 36.1 | (0,3,0) |
| 26.66 | 3.3437 | 33.7 | (0,0,3) |
| 26.66 | 3.3437 | 1.6 | (3,0,2) |
| 26.66 | 3.3437 | 1.6 | (2,0,3) |
| 26.66 | 3.3437 | 1.6 | (3,1,3) |
| 26.66 | 3.3437 | 33.7 | (3,3,3) |
| 29.07 | 3.0714 | 18.7 | (2,-2,0) |
| 29.07 | 3.0714 | 18.7 | (2,0,-2) |
| 29.07 | 3.0714 | 18.7 | (0,2,-2) |
| 29.07 | 3.0714 | 18.7 | (4,2,2) |
Energy Properties
Formation Energy/atom
-0.35261
eV/atom
Energy/atom
-2.51965
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-15.9785
eV/atom
Volume/atom
36.42
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
2.9924
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.002280
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
4.5381
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
14.929%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4131
smaller = more stable mixing
VEC
2.389
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-1.335
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8500
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-642418
Reference Citation
The crystal structure and related material properties of Sr11In3Ga4 were obtained from the Materials Project database (MP-ID: mp-642418, 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_Sr11In3Ga4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.28557284
_cell_length_b 12.28556652
_cell_length_c 12.28555380
_cell_angle_alpha 60.00062291
_cell_angle_beta 60.00063403
_cell_angle_gamma 60.00063725
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr11In3Ga4
_chemical_formula_sum 'Sr22 In6 Ga8'
_cell_volume 1311.22299205
_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 0.99998807 0.66169398 0.00001398 1.0
Sr Sr1 1 0.99998745 0.66169468 0.33830383 1.0
Sr Sr2 1 0.66169260 0.99998500 0.00001412 1.0
Sr Sr3 1 0.10050973 0.63317902 0.63315611 1.0
Sr Sr4 1 0.89948476 0.36685338 0.36683148 1.0
Sr Sr5 1 0.63316458 0.63316941 0.10051867 1.0
Sr Sr6 1 0.99998821 0.33832161 0.66167730 1.0
Sr Sr7 1 0.63316568 0.63317066 0.63314827 1.0
Sr Sr8 1 0.63317672 0.10050661 0.63315852 1.0
Sr Sr9 1 0.99999428 0.99998576 0.00001032 1.0
Sr Sr10 1 0.66169314 0.99998405 0.33830903 1.0
Sr Sr11 1 -0.00000059 0.99999692 0.33831464 1.0
Sr Sr12 1 0.33830808 0.66168856 0.00000127 1.0
Sr Sr13 1 0.33831854 0.99998578 0.00001375 1.0
Sr Sr14 1 0.36683973 0.36684494 0.89949405 1.0
Sr Sr15 1 0.99998937 0.33832009 0.00001385 1.0
Sr Sr16 1 0.33832035 0.99998442 0.66168240 1.0
Sr Sr17 1 -0.00000061 0.99999670 0.66168831 1.0
Sr Sr18 1 0.66168125 0.33831400 0.00000150 1.0
Sr Sr19 1 0.36685144 0.89948070 0.36683416 1.0
Sr Sr20 1 0.50001447 0.50002715 0.49997904 1.0
Sr Sr21 1 0.36684090 0.36684563 0.36682243 1.0
In In22 1 0.71910183 0.71910227 0.28089657 1.0
In In23 1 0.28089498 0.71910323 0.28089565 1.0
In In24 1 0.28089517 0.71910454 0.71910245 1.0
In In25 1 0.28089752 0.28089695 0.71910023 1.0
In In26 1 0.71910464 0.28089481 0.71910286 1.0
In In27 1 0.71910333 0.28089492 0.28089565 1.0
Ga Ga28 1 0.80536935 0.80536817 0.58389122 1.0
Ga Ga29 1 0.19462964 0.19462436 0.19464046 1.0
Ga Ga30 1 0.19462836 0.41610417 0.19463796 1.0
Ga Ga31 1 0.80536150 0.58390013 0.80537475 1.0
Ga Ga32 1 0.58390047 0.80536081 0.80537495 1.0
Ga Ga33 1 0.41610283 0.19462488 0.19464089 1.0
Ga Ga34 1 0.80536274 0.80535835 0.80537333 1.0
Ga Ga35 1 0.19463849 0.19463535 0.41608697 1.0
