MnTePd
High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELAMP-ID: mp-622980 · Space group: F-43m (#216)
Basic Information
Formula
MnTePd
MP-ID
mp-622980
Elements
3
Sites
3
Density
7.4661
g/cm³
Volume
64.27
ų
Cell a
4.4961
Å
Cell b
4.4961
Å
Cell c
4.4961
Å
α Angle
60.00
°
β Angle
60.00
°
γ Angle
60.00
°
Space Group
F-43m
Point Group
-43m
Crystal System
Cubic
Bravais Lattice
cF
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 9)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 24.24 | 3.6710 | 55.2 | (1,1,1) |
| 28.07 | 3.1792 | 2.8 | (1,1,0) |
| 40.11 | 2.2480 | 100.0 | (2,1,1) |
| 47.42 | 1.9171 | 27.1 | (2,2,1) |
| 58.02 | 1.5896 | 16.4 | (2,2,0) |
| 63.81 | 1.4587 | 11.1 | (3,1,1) |
| 72.88 | 1.2979 | 32.5 | (3,3,2) |
| 78.10 | 1.2237 | 8.3 | (3,3,3) |
| 86.61 | 1.1240 | 10.4 | (4,2,2) |
Energy Properties
Formation Energy/atom
-0.00346
eV/atom
Energy/atom
-5.83186
eV/atom
Energy above Hull
0.3251
eV/atom
Uncorrected Energy
-5.8319
eV/atom
Volume/atom
21.42
ų
c/a Ratio
1.0000
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
4.6412
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.072220
μB/ų
Elastic Properties
KVRH
68.845
GPa
GVRH
-7.423
GPa
Young's Modulus E
-
GPa
Poisson Ratio ν
0.556
Pugh Ratio K/G
-9.275
Vickers Hardness Est.
-
GPa
Ductility
Ductile
Anisotropy
28.690
Lame λ
73.794
GPa
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 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
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
0.9493
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
4.127%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.2858
smaller = more stable mixing
VEC
7.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-13.052
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
1
Phase Tendency
SS
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.355
Family
Mn-rich Multi-Component
Matrix Element
Mn · 0.333
Elasticity Features
Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
28.6900
Homogeneous Poisson ν
0.5560
Homogeneity
0.5560
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-622980
Reference Citation
The crystal structure and related material properties of MnTePd were obtained from the Materials Project database (MP-ID: mp-622980, 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_MnTePd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49608756
_cell_length_b 4.49608756
_cell_length_c 4.49608756
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnTePd
_chemical_formula_sum 'Mn1 Te1 Pd1'
_cell_volume 64.26718571
_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
Mn Mn0 1 0.75000000 0.75000000 0.75000000 1.0
Te Te1 1 0.50000000 0.50000000 0.50000000 1.0
Pd Pd2 1 0.25000000 0.25000000 0.25000000 1.0
