Pm2CuPt

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-863669 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Pm2CuPt

MP-ID

mp-863669

Elements

Sites

Density

10.1261

g/cm³

Volume

89.97

Å³

Cell a

5.0296

Cell b

5.0296

Cell c

5.0296

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 10)

2θ	d (Å)	I	hkl
21.64	4.1067	11.2	(1,1,1)
35.70	2.5148	100.0	(2,1,1)
42.13	2.1446	6.2	(2,2,1)
51.38	1.7782	17.7	(2,2,0)
56.38	1.6318	2.8	(3,2,2)
64.14	1.4519	36.1	(3,3,2)
68.55	1.3689	2.2	(3,3,3)
75.63	1.2574	11.2	(4,2,2)
79.76	1.2023	2.2	(4,3,2)
86.55	1.1247	16.1	(3,2,-1)

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Energy Properties

Formation Energy/atom

-0.69836

eV/atom

Energy/atom

-31.05230

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-31.0523

eV/atom

Volume/atom

22.49

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

80.655

GPa

G_VRH

26.778

GPa

Young's Modulus E

72.329

GPa

Poisson Ratio ν

0.351

Pugh Ratio K/G

3.012

Vickers Hardness Est.

0.767

GPa

Ductility

Brittle

Anisotropy

0.007

Lame λ

62.803

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pm · 0.500

Element Family

Lanthanide

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

2.9510

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.353%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4984

smaller = more stable mixing

VEC

7.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-4.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.509

Family

Pm-rich Multi-Component

Matrix Element

Pm · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0070

Homogeneous Poisson ν

0.3510

Debye Temperature

247.7

Sound Velocity

1,828.5

m/s

Homogeneity

0.3510

Related Tasks

Related computation task IDs (5)

aaachuuf aaadwews aaaehlqu aaaetgkt aaafslrv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-863669

Reference Citation

The crystal structure and related material properties of Pm2CuPt were obtained from the Materials Project database (MP-ID: mp-863669, 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

Loading 3D structure…

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Raw CIF Data

# generated using pymatgen
data_Pm2CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02959964
_cell_length_b   5.02959964
_cell_length_c   5.02959964
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm2CuPt
_chemical_formula_sum   'Pm2 Cu1 Pt1'
_cell_volume   89.96741664
_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
  Pm  Pm0  1  0.00000000  0.00000000  0.00000000  1.0
  Pm  Pm1  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.25000000  0.25000000  0.25000000  1.0
  Pt  Pt3  1  0.75000000  0.75000000  0.75000000  1.0

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