Pm2CuGe

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-863664 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Pm2CuGe

MP-ID

mp-863664

Elements

Sites

Density

7.6264

g/cm³

Volume

92.80

Å³

Cell a

5.0818

Cell b

5.0818

Cell c

5.0818

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 9)

2θ	d (Å)	I	hkl
24.78	3.5934	14.3	(1,1,0)
35.32	2.5409	100.0	(2,1,1)
43.63	2.0746	4.3	(2,2,2)
50.82	1.7967	17.6	(2,2,0)
57.34	1.6070	6.0	(3,2,1)
63.41	1.4670	35.7	(3,3,2)
74.72	1.2704	10.9	(4,2,2)
80.12	1.1978	3.0	(4,3,3)
85.44	1.1363	15.6	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.51033

eV/atom

Energy/atom

-21.46033

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-21.4603

eV/atom

Volume/atom

23.20

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0001

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

66.228

GPa

G_VRH

24.887

GPa

Young's Modulus E

66.350

GPa

Poisson Ratio ν

0.333

Pugh Ratio K/G

2.661

Vickers Hardness Est.

1.172

GPa

Ductility

Brittle

Anisotropy

0.068

Lame λ

49.637

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

3.8290

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

18.792%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4143

smaller = more stable mixing

VEC

6.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.000

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

0.0680

Homogeneous Poisson ν

0.3330

Debye Temperature

309.3

Sound Velocity

2,026.4

m/s

Homogeneity

0.3330

Related Tasks

Related computation task IDs (5)

aaadnzde aaadwdqu aaaehejo aaaetims aaafizpz

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-863664

Reference Citation

The crystal structure and related material properties of Pm2CuGe were obtained from the Materials Project database (MP-ID: mp-863664, 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_Pm2CuGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08176907
_cell_length_b   5.08176907
_cell_length_c   5.08176907
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm2CuGe
_chemical_formula_sum   'Pm2 Cu1 Ge1'
_cell_volume   92.79611170
_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  0.24999900  0.24999900  0.24999900  1.0
  Ge  Ge3  1  0.74999900  0.74999900  0.74999900  1.0

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