Basic Information
Formula
Sm8Pt24Pb
MP-ID
mp-3293249
Elements
3
Sites
33
Density
16.5799
g/cm³
Volume
610.14
ų
Cell a
8.4816
Å
Cell b
8.4816
Å
Cell c
8.4816
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Pm-3m
Point Group
m-3m
Crystal System
Cubic
Bravais Lattice
cP
Stability
Yes
Packing Fraction
0.5236
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 |
|---|---|---|---|
| 20.95 | 4.2408 | 6.5 | (2,0,0) |
| 31.65 | 2.8272 | 5.1 | (3,0,0) |
| 33.41 | 2.6821 | 2.2 | (3,1,0) |
| 36.71 | 2.4484 | 100.0 | (2,2,2) |
| 38.26 | 2.3524 | 12.4 | (3,2,0) |
| 39.76 | 2.2668 | 5.2 | (3,2,1) |
| 42.64 | 2.1204 | 57.1 | (4,0,0) |
| 44.02 | 2.0571 | 15.1 | (3,2,2) |
| 45.37 | 1.9991 | 4.6 | (3,3,0) |
| 49.23 | 1.8508 | 2.0 | (4,2,1) |
| 50.47 | 1.8083 | 5.1 | (3,3,2) |
| 54.06 | 1.6963 | 1.2 | (4,3,0) |
| 58.61 | 1.5750 | 2.4 | (4,3,2) |
| 61.88 | 1.4994 | 29.8 | (4,4,0) |
| 62.95 | 1.4765 | 3.6 | (5,2,2) |
| 66.10 | 1.4136 | 2.0 | (6,0,0) |
| 68.15 | 1.3759 | 1.4 | (5,3,2) |
| 70.18 | 1.3411 | 2.1 | (6,2,0) |
| 71.18 | 1.3246 | 4.8 | (6,2,1) |
| 72.18 | 1.3087 | 1.0 | (5,4,1) |
| 74.16 | 1.2787 | 27.6 | (6,2,2) |
| 75.14 | 1.2644 | 6.7 | (6,3,0) |
| 76.12 | 1.2505 | 2.5 | (6,3,1) |
| 78.06 | 1.2242 | 7.6 | (4,4,4) |
Energy Properties
Formation Energy/atom
-0.99781
eV/atom
Energy/atom
-47.35702
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-47.3570
eV/atom
Volume/atom
18.49
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
0.0017
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
Pt · 0.727
Element Family
5d-TM
Solute Fraction
0.273
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.6811
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
5.6626
J/mol·K
Ω Parameter
27.3656
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
13.263%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.4766
smaller = more stable mixing
VEC
8.848
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.378
kJ/mol; negative = exothermic mixing
Entropy Norm
0.6200
SS Former
0
Phase Tendency
IM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3293249
Reference Citation
The crystal structure and related material properties of Sm8Pt24Pb were obtained from the Materials Project database (MP-ID: mp-3293249, 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_Sm8Pt24Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48159695
_cell_length_b 8.48159695
_cell_length_c 8.48159695
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm8Pt24Pb
_chemical_formula_sum 'Sm8 Pt24 Pb1'
_cell_volume 610.14476952
_cell_formula_units_Z 1
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
Sm Sm0 1 0.25116659 0.25116659 0.25116659 1.0
Sm Sm1 1 0.74883341 0.74883341 0.74883341 1.0
Sm Sm2 1 0.74883341 0.74883341 0.25116659 1.0
Sm Sm3 1 0.74883341 0.25116659 0.74883341 1.0
Sm Sm4 1 0.25116659 0.25116659 0.74883341 1.0
Sm Sm5 1 0.25116659 0.74883341 0.25116659 1.0
Sm Sm6 1 0.25116659 0.74883341 0.74883341 1.0
Sm Sm7 1 0.74883341 0.25116659 0.25116659 1.0
Pt Pt8 1 0.27131811 0.50000000 0.00000000 1.0
Pt Pt9 1 0.72868189 0.50000000 0.00000000 1.0
Pt Pt10 1 0.00000000 0.27131811 0.50000000 1.0
Pt Pt11 1 0.50000000 0.27131811 0.00000000 1.0
Pt Pt12 1 0.00000000 0.72868189 0.50000000 1.0
Pt Pt13 1 0.50000000 0.72868189 0.00000000 1.0
Pt Pt14 1 0.50000000 0.00000000 0.27131811 1.0
Pt Pt15 1 0.27131811 0.00000000 0.50000000 1.0
Pt Pt16 1 0.50000000 0.00000000 0.72868189 1.0
Pt Pt17 1 0.72868189 0.00000000 0.50000000 1.0
Pt Pt18 1 0.00000000 0.50000000 0.27131811 1.0
Pt Pt19 1 0.00000000 0.50000000 0.72868189 1.0
Pt Pt20 1 0.25660991 0.50000000 0.50000000 1.0
Pt Pt21 1 0.74339009 0.50000000 0.50000000 1.0
Pt Pt22 1 0.50000000 0.25660991 0.50000000 1.0
Pt Pt23 1 0.50000000 0.74339009 0.50000000 1.0
Pt Pt24 1 0.50000000 0.50000000 0.25660991 1.0
Pt Pt25 1 0.50000000 0.50000000 0.74339009 1.0
Pt Pt26 1 0.32782566 0.00000000 0.00000000 1.0
Pt Pt27 1 0.67217434 0.00000000 0.00000000 1.0
Pt Pt28 1 0.00000000 0.32782566 0.00000000 1.0
Pt Pt29 1 0.00000000 0.67217434 0.00000000 1.0
Pt Pt30 1 0.00000000 0.00000000 0.32782566 1.0
Pt Pt31 1 0.00000000 0.00000000 0.67217434 1.0
Pb Pb32 1 0.00000000 0.00000000 0.00000000 1.0
