Basic Information
Formula
SrSbAu
MP-ID
mp-11815
Elements
3
Sites
6
Density
7.9911
g/cm³
Volume
168.88
ų
Cell a
5.4682
Å
Cell b
5.4682
Å
Cell c
6.5217
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P6_3/mmc
Point Group
6/mmm
Crystal System
Hexagonal
Bravais Lattice
hP
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 22)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 18.74 | 4.7356 | 18.0 | (1,0,-1,0) |
| 23.21 | 3.8319 | 2.2 | (1,0,-1,1) |
| 32.76 | 2.7341 | 95.1 | (2,-1,-1,0) |
| 33.36 | 2.6857 | 100.0 | (1,0,-1,2) |
| 38.00 | 2.3678 | 2.3 | (2,0,-2,0) |
| 38.00 | 2.3678 | 1.1 | (2,-2,0,0) |
| 47.45 | 1.9160 | 37.5 | (2,0,-2,2) |
| 51.03 | 1.7899 | 3.1 | (3,-1,-2,0) |
| 56.44 | 1.6304 | 6.7 | (0,0,0,4) |
| 58.47 | 1.5785 | 12.1 | (3,0,-3,0) |
| 58.47 | 1.5785 | 6.0 | (3,-3,0,0) |
| 58.86 | 1.5691 | 13.2 | (2,1,-3,2) |
| 58.86 | 1.5691 | 26.3 | (3,-1,-2,2) |
| 60.01 | 1.5416 | 1.9 | (1,0,-1,4) |
| 66.81 | 1.4003 | 24.3 | (2,-1,-1,4) |
| 68.66 | 1.3670 | 11.2 | (4,-2,-2,0) |
| 70.07 | 1.3429 | 1.2 | (2,0,-2,4) |
| 78.51 | 1.2183 | 17.4 | (4,-1,-3,2) |
| 79.52 | 1.2053 | 1.8 | (3,-1,-2,4) |
| 85.65 | 1.1341 | 8.5 | (3,0,-3,4) |
| 85.65 | 1.1341 | 4.3 | (3,-3,0,4) |
| 87.70 | 1.1128 | 6.9 | (4,0,-4,2) |
Energy Properties
Formation Energy/atom
-0.38620
eV/atom
Energy/atom
-3.41797
eV/atom
Energy above Hull
0.3849
eV/atom
Uncorrected Energy
-3.4180
eV/atom
Volume/atom
28.15
ų
c/a Ratio
1.1927
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0006
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sr · 0.333
Element Family
Alkali-AlkEarth
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
2.7621
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.053%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.6648
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.627
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
IM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-11815
Reference Citation
The crystal structure and related material properties of SrSbAu were obtained from the Materials Project database (MP-ID: mp-11815, 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_SrSbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46816765
_cell_length_b 5.46816765
_cell_length_c 6.52165300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999581
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrSbAu
_chemical_formula_sum 'Sr2 Sb2 Au2'
_cell_volume 168.87757361
_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 0.66666700 0.33333300 0.75000000 1.0
Sr Sr1 1 0.33333300 0.66666700 0.25000000 1.0
Sb Sb2 1 0.33333300 0.66666700 0.75000000 1.0
Sb Sb3 1 0.66666700 0.33333300 0.25000000 1.0
Au Au4 1 0.00000000 0.00000000 0.50000000 1.0
Au Au5 1 0.00000000 0.00000000 0.00000000 1.0
