Pm2ZnOs

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-983236 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Pm2ZnOs

MP-ID

mp-983236

Elements

Sites

Density

10.1608

g/cm³

Volume

89.17

Å³

Cell a

5.0147

Cell b

5.0147

Cell c

5.0147

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
21.71	4.0945	10.0	(1,1,1)
35.81	2.5074	100.0	(2,1,1)
42.27	2.1383	5.5	(2,2,1)
51.55	1.7730	17.7	(2,2,0)
56.57	1.6270	2.5	(3,2,2)
64.35	1.4476	36.2	(3,3,2)
68.78	1.3648	1.9	(3,0,0)
75.89	1.2537	11.2	(4,2,2)
80.05	1.1988	1.9	(4,3,2)
86.87	1.1213	16.2	(4,3,1)

Get direct link

Energy Properties

Formation Energy/atom

-0.21699

eV/atom

Energy/atom

-30.46126

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.4613

eV/atom

Volume/atom

22.29

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

87.655

GPa

G_VRH

28.611

GPa

Young's Modulus E

77.411

GPa

Poisson Ratio ν

0.353

Pugh Ratio K/G

3.064

Vickers Hardness Est.

0.839

GPa

Ductility

Brittle

Anisotropy

0.012

Lame λ

68.581

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

126.8279

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.807%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4425

smaller = more stable mixing

VEC

7.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.115

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

0.0120

Homogeneous Poisson ν

0.3530

Debye Temperature

257.0

Sound Velocity

1,887.4

m/s

Homogeneity

0.3530

Related Tasks

Related computation task IDs (5)

aaadobit aaadwcjv aaaeimbk aaaetdjr aaafsnwc

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-983236

Reference Citation

The crystal structure and related material properties of Pm2ZnOs were obtained from the Materials Project database (MP-ID: mp-983236, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_Pm2ZnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01473198
_cell_length_b   5.01473198
_cell_length_c   5.01473198
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm2ZnOs
_chemical_formula_sum   'Pm2 Zn1 Os1'
_cell_volume   89.17193318
_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  0.50000100  0.50000100  0.50000100  1.0
  Zn  Zn2  1  0.75000000  0.75000000  0.75000000  1.0
  Os  Os3  1  0.25000000  0.25000000  0.25000000  1.0

Get direct link