Basic Information
Formula
MnAlPt
MP-ID
mp-10892
Elements
3
Sites
6
Density
10.3228
g/cm³
Volume
89.12
ų
Cell a
4.3448
Å
Cell b
4.3448
Å
Cell c
5.4512
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 |
|---|---|---|---|
| 23.65 | 3.7627 | 10.9 | (1,0,-1,0) |
| 28.83 | 3.0967 | 100.0 | (1,0,-1,1) |
| 32.86 | 2.7256 | 15.5 | (0,0,0,2) |
| 40.88 | 2.2073 | 53.2 | (1,0,-1,2) |
| 41.57 | 2.1724 | 46.8 | (2,-1,-1,0) |
| 41.57 | 2.1724 | 23.4 | (1,1,-2,0) |
| 48.38 | 1.8814 | 1.9 | (2,0,-2,0) |
| 51.38 | 1.7784 | 7.0 | (2,-2,0,1) |
| 51.38 | 1.7784 | 14.0 | (2,0,-2,1) |
| 53.98 | 1.6988 | 16.1 | (2,-1,-1,2) |
| 53.98 | 1.6988 | 8.0 | (1,1,-2,2) |
| 56.22 | 1.6363 | 16.1 | (1,0,-1,3) |
| 59.72 | 1.5483 | 17.0 | (2,0,-2,2) |
| 65.65 | 1.4222 | 1.1 | (3,-1,-2,0) |
| 68.14 | 1.3761 | 6.1 | (3,-2,-1,1) |
| 68.14 | 1.3761 | 12.2 | (3,-1,-2,1) |
| 68.90 | 1.3628 | 5.2 | (0,0,0,4) |
| 72.29 | 1.3070 | 7.7 | (2,0,-2,3) |
| 73.98 | 1.2813 | 1.2 | (1,0,-1,4) |
| 75.39 | 1.2609 | 16.8 | (3,-1,-2,2) |
| 75.85 | 1.2543 | 11.8 | (3,0,-3,0) |
| 83.79 | 1.1544 | 12.2 | (2,-1,-1,4) |
| 83.79 | 1.1544 | 6.1 | (1,1,-2,4) |
| 85.16 | 1.1394 | 7.1 | (3,0,-3,2) |
Energy Properties
Formation Energy/atom
-0.63654
eV/atom
Energy/atom
-6.96278
eV/atom
Energy above Hull
0.0584
eV/atom
Uncorrected Energy
-6.9628
eV/atom
Volume/atom
14.85
ų
c/a Ratio
1.2546
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
7.0517
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.079130
μB/ų
Elastic Properties
KVRH
102.361
GPa
GVRH
43.816
GPa
Young's Modulus E
115.034
GPa
Poisson Ratio ν
0.313
Pugh Ratio K/G
2.336
Vickers Hardness Est.
-
GPa
Ductility
Brittle
Anisotropy
1.601
Lame λ
73.150
GPa
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mn · 0.333
Element Family
3d-TM
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
0.3165
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
4.987%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3309
smaller = more stable mixing
VEC
6.667
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-43.226
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-10892
Reference Citation
The crystal structure and related material properties of MnAlPt were obtained from the Materials Project database (MP-ID: mp-10892, 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_MnAlPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34484239
_cell_length_b 4.34484239
_cell_length_c 5.45114900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000597
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnAlPt
_chemical_formula_sum 'Mn2 Al2 Pt2'
_cell_volume 89.11826297
_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
Mn Mn0 1 0.00000000 0.00000000 0.00000000 1.0
Mn Mn1 1 0.00000000 0.00000000 0.50000000 1.0
Al Al2 1 0.33333300 0.66666700 0.25000000 1.0
Al Al3 1 0.66666700 0.33333300 0.75000000 1.0
Pt Pt4 1 0.33333300 0.66666700 0.75000000 1.0
Pt Pt5 1 0.66666700 0.33333300 0.25000000 1.0
