Pm2ZnAg

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-982393 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Pm2ZnAg

MP-ID

mp-982393

Elements

Sites

Density

7.7074

g/cm³

Volume

99.81

Å³

Cell a

5.2068

Cell b

5.2068

Cell c

5.2068

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
20.90	4.2513	1.8	(1,1,1)
24.17	3.6817	6.4	(1,1,0)
34.45	2.6034	100.0	(2,1,1)
42.53	2.1257	2.0	(2,2,2)
49.52	1.8409	17.7	(2,2,0)
55.84	1.6465	2.9	(3,2,1)
61.71	1.5031	35.9	(3,3,2)
72.63	1.3017	11.0	(4,2,2)
77.83	1.2272	1.5	(4,1,1)
82.93	1.1643	15.5	(4,3,1)

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Energy Properties

Formation Energy/atom

-0.30834

eV/atom

Energy/atom

-22.64527

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-22.6453

eV/atom

Volume/atom

24.95

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

56.992

GPa

G_VRH

21.588

GPa

Young's Modulus E

57.503

GPa

Poisson Ratio ν

0.332

Pugh Ratio K/G

2.640

Vickers Hardness Est.

0.875

GPa

Ductility

Brittle

Anisotropy

1.578

Lame λ

42.600

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

6.7334

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.364%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3445

smaller = more stable mixing

VEC

8.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.500

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

1.5780

Homogeneous Poisson ν

0.3320

Debye Temperature

265.4

Sound Velocity

1,877.1

m/s

Homogeneity

0.3320

Related Tasks

Related computation task IDs (5)

aaadmeel aaadwbaq aaaehiss aaaesljs aaafbrbi

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-982393

Reference Citation

The crystal structure and related material properties of Pm2ZnAg were obtained from the Materials Project database (MP-ID: mp-982393, 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_Pm2ZnAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20674653
_cell_length_b   5.20674653
_cell_length_c   5.20674653
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm2ZnAg
_chemical_formula_sum   'Pm2 Zn1 Ag1'
_cell_volume   99.81235699
_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
  Zn  Zn2  1  0.75000000  0.75000000  0.75000000  1.0
  Ag  Ag3  1  0.24999900  0.24999900  0.24999900  1.0

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