Pm2CuSn

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-863676 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Pm2CuSn

MP-ID

mp-863676

Elements

Sites

Density

7.6182

g/cm³

Volume

102.94

Å³

Cell a

5.2574

Cell b

5.2681

Cell c

5.2565

α Angle

59.96

β Angle

60.08

γ Angle

59.95

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 24)

2θ	d (Å)	I	hkl
20.67	4.2975	3.7	(0,1,0)
20.68	4.2954	3.8	(1,1,1)
20.69	4.2939	3.9	(0,0,1)
20.69	4.2939	3.9	(1,0,0)
23.89	3.7241	11.3	(1,1,0)
23.90	3.7229	11.3	(0,1,1)
23.97	3.7123	11.2	(1,0,1)
34.04	2.6341	100.0	(1,2,1)
34.07	2.6317	99.8	(1,0,-1)
34.09	2.6297	99.5	(0,1,-1)
34.10	2.6292	99.5	(1,-1,0)
34.11	2.6287	99.4	(2,1,1)
34.11	2.6283	99.4	(1,1,2)
42.05	2.1488	2.5	(0,2,0)
42.07	2.1477	2.5	(2,2,2)
42.09	2.1470	2.5	(0,0,2)
42.09	2.1470	2.5	(2,0,0)
48.91	1.8621	36.0	(2,2,0)
48.93	1.8614	36.0	(0,2,2)
49.08	1.8562	35.6	(2,0,2)
55.13	1.6660	1.1	(2,3,1)
55.14	1.6656	1.1	(1,3,2)
55.17	1.6648	1.1	(2,1,-1)
55.18	1.6647	1.1	(1,2,-1)

Get direct link

Energy Properties

Formation Energy/atom

-0.47065

eV/atom

Energy/atom

-24.13920

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-24.1392

eV/atom

Volume/atom

25.73

Å³

c/a Ratio

0.9998

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0013

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

61.633

GPa

G_VRH

19.596

GPa

Young's Modulus E

53.155

GPa

Poisson Ratio ν

0.356

Pugh Ratio K/G

3.145

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

0.562

Lame λ

48.569

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

4.9803

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

14.890%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4006

smaller = more stable mixing

VEC

6.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-2.000

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

0.5620

Homogeneous Poisson ν

0.3560

Debye Temperature

249.9

Sound Velocity

1,804.7

m/s

Homogeneity

0.3560

Related Tasks

Related computation task IDs (5)

aaachuxs aaadwele aaaemdgs aaaeslfw aaafbqwe

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-863676

Reference Citation

The crystal structure and related material properties of Pm2CuSn were obtained from the Materials Project database (MP-ID: mp-863676, 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_Pm2CuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25737439
_cell_length_b   5.26814450
_cell_length_c   5.25652349
_cell_angle_alpha   59.96235293
_cell_angle_beta   60.08159134
_cell_angle_gamma   59.94550723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm2CuSn
_chemical_formula_sum   'Pm2 Cu1 Sn1'
_cell_volume   102.93761808
_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  0.99976460  0.00035970  0.99982303  1.0
  Pm  Pm1  1  0.50014535  0.49968580  0.50019372  1.0
  Cu  Cu2  1  0.25012701  0.24993346  0.24997890  1.0
  Sn  Sn3  1  0.74996204  0.75002104  0.75000235  1.0

Get direct link