Basic Information
Formula
SrAgSb
MP-ID
mp-11217
Elements
3
Sites
6
Density
6.0536
g/cm³
Volume
174.05
ų
Cell a
5.5249
Å
Cell b
5.5249
Å
Cell c
6.5839
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 21)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 22.98 | 3.8706 | 3.7 | (1,0,-1,1) |
| 27.09 | 3.2919 | 4.8 | (0,0,0,2) |
| 32.41 | 2.7625 | 100.0 | (2,-1,-1,0) |
| 33.03 | 2.7121 | 86.6 | (1,0,-1,2) |
| 42.73 | 2.1161 | 8.4 | (2,-1,-1,2) |
| 46.95 | 1.9353 | 10.5 | (2,-2,0,2) |
| 46.95 | 1.9353 | 21.0 | (2,0,-2,2) |
| 55.86 | 1.6460 | 6.8 | (0,0,0,4) |
| 57.81 | 1.5949 | 18.3 | (3,0,-3,0) |
| 58.21 | 1.5850 | 21.6 | (3,-1,-2,2) |
| 58.21 | 1.5850 | 10.8 | (2,1,-3,2) |
| 64.97 | 1.4353 | 1.7 | (3,0,-3,2) |
| 66.08 | 1.4140 | 24.3 | (2,-1,-1,4) |
| 67.85 | 1.3812 | 7.5 | (4,-2,-2,0) |
| 67.85 | 1.3812 | 3.7 | (2,2,-4,0) |
| 74.50 | 1.2737 | 1.7 | (4,-2,-2,2) |
| 77.56 | 1.2308 | 4.6 | (4,-3,-1,2) |
| 77.56 | 1.2308 | 9.2 | (4,-1,-3,2) |
| 84.61 | 1.1454 | 4.2 | (3,-3,0,4) |
| 84.61 | 1.1454 | 8.3 | (3,0,-3,4) |
| 86.58 | 1.1243 | 5.3 | (4,0,-4,2) |
Energy Properties
Formation Energy/atom
-0.47433
eV/atom
Energy/atom
-3.36245
eV/atom
Energy above Hull
0.2170
eV/atom
Uncorrected Energy
-3.2985
eV/atom
Volume/atom
29.01
ų
c/a Ratio
1.1917
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
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
1.9593
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.053%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4927
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-4.955
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-11217
Reference Citation
The crystal structure and related material properties of SrAgSb were obtained from the Materials Project database (MP-ID: mp-11217, 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_SrAgSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52493246
_cell_length_b 5.52493246
_cell_length_c 6.58388500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000554
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrAgSb
_chemical_formula_sum 'Sr2 Ag2 Sb2'
_cell_volume 174.04709983
_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
Ag Ag2 1 0.00000000 0.00000000 0.00000000 1.0
Ag Ag3 1 0.00000000 0.00000000 0.50000000 1.0
Sb Sb4 1 0.33333300 0.66666700 0.75000000 1.0
Sb Sb5 1 0.66666700 0.33333300 0.25000000 1.0
