Pm2InAg

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-982615 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Pm2InAg

MP-ID

mp-982615

Elements

Sites

Density

7.7885

g/cm³

Volume

109.31

Å³

Cell a

5.3669

Cell b

5.3669

Cell c

5.3669

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
23.44	3.7950	1.8	(0,1,1)
23.44	3.7950	1.8	(1,0,1)
23.44	3.7949	1.8	(1,1,0)
33.39	2.6834	50.0	(1,-1,0)
33.39	2.6834	100.0	(2,1,1)
33.39	2.6834	100.0	(1,2,1)
33.39	2.6834	50.0	(0,1,-1)
47.94	1.8975	17.9	(0,2,2)
47.94	1.8975	35.8	(2,2,0)
59.68	1.5493	9.2	(2,-1,-1)
59.68	1.5493	9.2	(3,0,1)
59.68	1.5493	9.2	(3,1,0)
59.68	1.5493	9.2	(0,3,1)
59.68	1.5493	27.5	(3,3,2)
59.68	1.5493	9.2	(1,-2,1)
59.68	1.5493	9.2	(2,3,3)
59.68	1.5493	9.2	(1,1,-2)
59.68	1.5493	9.2	(1,3,0)
59.68	1.5493	9.2	(1,0,3)
70.14	1.3417	5.6	(2,-2,0)
70.14	1.3417	11.2	(4,2,2)
70.14	1.3417	5.6	(2,4,2)
70.14	1.3417	5.6	(2,2,4)
70.14	1.3417	5.6	(0,2,-2)

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Energy Properties

Formation Energy/atom

-0.46567

eV/atom

Energy/atom

-26.21959

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-26.2196

eV/atom

Volume/atom

27.33

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.2941

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.002690

μB/Å³

Elastic Properties

Elastic data not available

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

9.5318

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

9.893%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3664

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-1.000

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

Related Tasks

Related computation task IDs (5)

aaadpffe aaadwbjt aaaehiie aaaeovfd aaafshch

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-982615

Reference Citation

The crystal structure and related material properties of Pm2InAg were obtained from the Materials Project database (MP-ID: mp-982615, 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_Pm2InAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36686982
_cell_length_b   5.36686023
_cell_length_c   5.36685948
_cell_angle_alpha   59.99994992
_cell_angle_beta   60.00006368
_cell_angle_gamma   60.00007723
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pm2InAg
_chemical_formula_sum   'Pm2 In1 Ag1'
_cell_volume   109.30672199
_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  0.50000000  0.50000000  0.50000000  1.0
  Pm  Pm1  1  0.00000000  0.00000000  0.00000000  1.0
  In  In2  1  0.74999900  0.74999900  0.74999900  1.0
  Ag  Ag3  1  0.25000000  0.25000000  0.25000000  1.0

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