Pm2CuOs

High-Entropy Materials HEA Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-863668 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Pm2CuOs

MP-ID

mp-863668

Elements

Sites

Density

10.4963

g/cm³

Volume

86.03

Å³

Cell a

4.9550

Cell b

4.9550

Cell c

4.9550

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 24)

2θ	d (Å)	I	hkl
21.97	4.0458	15.7	(1,0,0)
21.97	4.0458	5.2	(1,1,1)
25.42	3.5038	1.3	(1,1,0)
36.26	2.4775	100.0	(1,0,-1)
36.26	2.4775	100.0	(2,1,1)
42.80	2.1129	2.9	(1,1,-1)
42.80	2.1129	5.8	(2,1,0)
42.80	2.1128	2.9	(2,2,1)
52.21	1.7519	35.2	(2,2,0)
57.31	1.6076	2.6	(2,0,-1)
57.31	1.6076	1.3	(3,1,1)
57.31	1.6076	1.3	(3,2,2)
65.22	1.4304	17.9	(2,-1,-1)
65.22	1.4304	35.8	(3,1,0)
65.23	1.4304	17.9	(3,3,2)
69.73	1.3486	1.5	(2,2,-1)
69.73	1.3486	1.5	(3,2,0)
76.97	1.2388	11.1	(2,0,-2)
76.97	1.2388	11.1	(4,2,2)
81.21	1.1845	1.0	(2,1,-2)
81.21	1.1845	1.0	(3,1,-1)
81.21	1.1845	1.0	(4,2,1)
81.21	1.1845	1.0	(4,3,2)
88.18	1.1080	5.4	(3,2,-1)

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Energy Properties

Formation Energy/atom

-0.14792

eV/atom

Energy/atom

-30.87623

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-30.8762

eV/atom

Volume/atom

21.51

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

92.175

GPa

G_VRH

35.405

GPa

Young's Modulus E

94.159

GPa

Poisson Ratio ν

0.330

Pugh Ratio K/G

2.603

Vickers Hardness Est.

2.261

GPa

Ductility

Brittle

Anisotropy

0.009

Lame λ

68.572

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

16.7847

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

16.976%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4721

smaller = more stable mixing

VEC

7.250

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-0.954

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

0.0090

Homogeneous Poisson ν

0.3300

Debye Temperature

284.2

Sound Velocity

2,059.3

m/s

Homogeneity

0.3300

Related Tasks

Related computation task IDs (5)

aaachuue aaadumuk aaaemmbn aaaescmz aaafjdej

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-863668

Reference Citation

The crystal structure and related material properties of Pm2CuOs were obtained from the Materials Project database (MP-ID: mp-863668, 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_Pm2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95504055
_cell_length_b   4.95504055
_cell_length_c   4.95504052
_cell_angle_alpha   60.00048778
_cell_angle_beta   60.00048778
_cell_angle_gamma   60.00048745
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm2CuOs
_chemical_formula_sum   'Pm2 Cu1 Os1'
_cell_volume   86.02633879
_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  0.00000002  0.00000002  0.00000002  1.0
  Pm  Pm1  1  0.50000080  0.50000080  0.50000080  1.0
  Cu  Cu2  1  0.24999910  0.24999910  0.24999909  1.0
  Os  Os3  1  0.75000009  0.75000008  0.75000008  1.0

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