Basic Information
Formula
SrZnPb
MP-ID
mp-1019280
Elements
3
Sites
6
Density
6.6041
g/cm³
Volume
181.15
ų
Cell a
4.7990
Å
Cell b
4.7990
Å
Cell c
9.0827
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 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 19.55 | 4.5413 | 29.3 | (0,0,0,2) |
| 21.38 | 4.1561 | 4.8 | (1,0,-1,0) |
| 23.54 | 3.7792 | 42.1 | (1,0,-1,1) |
| 29.13 | 3.0660 | 100.0 | (1,0,-1,2) |
| 36.73 | 2.4471 | 14.1 | (1,0,-1,3) |
| 37.48 | 2.3995 | 44.4 | (2,-1,-1,0) |
| 37.48 | 2.3995 | 22.2 | (1,1,-2,0) |
| 39.69 | 2.2707 | 18.9 | (0,0,0,4) |
| 42.62 | 2.1216 | 16.7 | (2,-1,-1,2) |
| 42.62 | 2.1216 | 8.4 | (1,1,-2,2) |
| 44.74 | 2.0257 | 2.8 | (2,-2,0,1) |
| 44.74 | 2.0257 | 5.6 | (2,0,-2,1) |
| 45.52 | 1.9927 | 1.5 | (1,0,-1,4) |
| 48.16 | 1.8896 | 8.4 | (2,-2,0,2) |
| 48.16 | 1.8896 | 16.7 | (2,0,-2,2) |
| 53.48 | 1.7133 | 1.7 | (2,-2,0,3) |
| 53.48 | 1.7133 | 3.4 | (2,0,-2,3) |
| 55.18 | 1.6645 | 4.7 | (1,0,-1,5) |
| 55.74 | 1.6493 | 42.1 | (2,-1,-1,4) |
| 59.74 | 1.5479 | 5.0 | (3,-1,-2,1) |
| 59.74 | 1.5479 | 2.5 | (2,1,-3,1) |
| 61.23 | 1.5138 | 1.4 | (0,0,0,6) |
| 62.57 | 1.4845 | 7.6 | (3,-2,-1,2) |
| 62.57 | 1.4845 | 15.2 | (3,-1,-2,2) |
Energy Properties
Formation Energy/atom
-0.49028
eV/atom
Energy/atom
-27.27074
eV/atom
Energy above Hull
0.0174
eV/atom
Uncorrected Energy
-2.6020
eV/atom
Volume/atom
30.19
ų
c/a Ratio
1.8926
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0014
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų
Elastic Properties
KVRH
32.355
GPa
GVRH
24.914
GPa
Young's Modulus E
59.476
GPa
Poisson Ratio ν
0.194
Pugh Ratio K/G
1.299
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
0.354
Lame λ
15.746
GPa
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
1.9290
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
16.036%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5634
smaller = more stable mixing
VEC
6.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.698
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-1019280
Reference Citation
The crystal structure and related material properties of SrZnPb were obtained from the Materials Project database (MP-ID: mp-1019280, 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_SrZnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79900094
_cell_length_b 4.79900094
_cell_length_c 9.08267800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001298
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrZnPb
_chemical_formula_sum 'Sr2 Zn2 Pb2'
_cell_volume 181.15326378
_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 0.00000000 0.00000000 0.50000000 1.0
Sr Sr1 1 0.00000000 0.00000000 0.00000000 1.0
Zn Zn2 1 0.33333300 0.66666700 0.75000000 1.0
Zn Zn3 1 0.66666700 0.33333300 0.25000000 1.0
Pb Pb4 1 0.33333300 0.66666700 0.25000000 1.0
Pb Pb5 1 0.66666700 0.33333300 0.75000000 1.0
