SmZn2AgPt2
High-Entropy Materials HEAMP-ID: mp-3248313 · Space group: Imm2 (#44)
Basic Information
Formula
SmZn2AgPt2
MP-ID
mp-3248313
Elements
4
Sites
6
Density
12.4223
g/cm³
Volume
104.16
ų
Cell a
5.2509
Å
Cell b
5.2321
Å
Cell c
5.2321
Å
α Angle
64.01
°
β Angle
59.88
°
γ Angle
59.88
°
Space Group
Imm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oI
Stability
Yes
Packing Fraction
-
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 |
|---|---|---|---|
| 20.26 | 4.3831 | 2.0 | (0,1,0) |
| 20.99 | 4.2329 | 39.0 | (1,0,0) |
| 23.33 | 3.8131 | 1.0 | (1,1,0) |
| 24.90 | 3.5766 | 19.1 | (0,1,1) |
| 34.15 | 2.6255 | 36.7 | (2,1,1) |
| 34.38 | 2.6086 | 39.3 | (1,2,1) |
| 38.82 | 2.3197 | 100.0 | (1,2,0) |
| 38.82 | 2.3197 | 33.3 | (1,0,2) |
| 40.03 | 2.2523 | 40.7 | (2,2,1) |
| 41.19 | 2.1916 | 24.4 | (0,2,0) |
| 41.19 | 2.1916 | 24.4 | (0,0,2) |
| 41.21 | 2.1905 | 18.5 | (0,2,1) |
| 41.60 | 2.1710 | 54.5 | (1,-1,-1) |
| 42.72 | 2.1164 | 21.7 | (2,0,0) |
| 42.72 | 2.1164 | 21.7 | (2,2,2) |
| 47.70 | 1.9066 | 8.1 | (2,2,0) |
| 51.07 | 1.7883 | 3.8 | (0,2,2) |
| 53.61 | 1.7095 | 1.7 | (1,3,1) |
| 53.61 | 1.7095 | 5.1 | (1,0,-2) |
| 53.93 | 1.7002 | 3.4 | (3,1,1) |
| 54.54 | 1.6824 | 2.4 | (2,3,1) |
| 54.54 | 1.6824 | 7.2 | (2,1,-1) |
| 54.56 | 1.6820 | 1.2 | (2,3,2) |
| 58.92 | 1.5675 | 8.1 | (1,3,0) |
Energy Properties
Formation Energy/atom
-0.74745
eV/atom
Energy/atom
-29.39502
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-29.3950
eV/atom
Volume/atom
17.36
ų
c/a Ratio
0.9964
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
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.333
Element Family
3d-TM
Solute Fraction
0.667
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.3297
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
11.0548
J/mol·K
Ω Parameter
0.8663
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.237%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3906
smaller = more stable mixing
VEC
10.167
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-17.115
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9591
SS Former
0
Phase Tendency
AM
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-3248313
Reference Citation
The crystal structure and related material properties of SmZn2AgPt2 were obtained from the Materials Project database (MP-ID: mp-3248313, 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_SmZn2AgPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25092395
_cell_length_b 5.23213035
_cell_length_c 5.23212988
_cell_angle_alpha 64.01428935
_cell_angle_beta 59.88110869
_cell_angle_gamma 59.88110499
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmZn2AgPt2
_chemical_formula_sum 'Sm1 Zn2 Ag1 Pt2'
_cell_volume 104.16098877
_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 0.99253139 0.00746861 0.00746861 1.0
Zn Zn1 1 0.13017617 0.61773319 0.61773319 1.0
Zn Zn2 1 0.63435645 0.61773319 0.61773319 1.0
Ag Ag3 1 0.24018778 0.25981222 0.25981222 1.0
Pt Pt4 1 0.62637311 0.62269850 0.12455428 1.0
Pt Pt5 1 0.62637311 0.12455428 0.62269850 1.0
