Pa2Mn2Pb

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3253043 · Space group: Cmmm (#65)

Materials Project API

Basic Information

Formula

Pa2Mn2Pb

MP-ID

mp-3253043

Elements

Sites

Density

12.8961

g/cm³

Volume

100.33

Å³

Cell a

7.8820

Cell b

7.8820

Cell c

3.5922

α Angle

90.00

β Angle

90.00

γ Angle

153.29

Space Group

Cmmm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Yes

Packing Fraction

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
11.54	7.6688	1.1	(1,-1,0)
23.20	3.8344	7.4	(2,-2,0)
24.79	3.5922	4.1	(0,0,1)
27.42	3.2530	30.2	(1,-1,1)
30.13	2.9662	82.7	(2,-1,0)
34.20	2.6215	59.8	(2,-2,1)
35.11	2.5563	47.6	(3,-3,0)
35.59	2.5226	100.0	(1,0,1)
38.37	2.3462	5.2	(2,-3,0)
38.37	2.3462	5.2	(3,-2,0)
39.39	2.2872	33.2	(2,-1,1)
46.22	1.9643	20.6	(3,-2,1)
47.42	1.9172	1.5	(4,-4,0)
48.49	1.8775	1.9	(3,-4,0)
48.49	1.8775	1.9	(4,-3,0)
50.10	1.8209	21.6	(1,1,0)
50.84	1.7961	20.7	(0,0,2)
55.20	1.6639	41.1	(4,-3,1)
56.58	1.6265	1.3	(2,-2,2)
56.67	1.6242	1.1	(1,1,1)
58.05	1.5889	4.1	(0,2,1)
58.05	1.5889	4.1	(2,0,1)
59.93	1.5435	8.9	(5,-4,0)
60.23	1.5364	12.7	(1,-2,2)

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Energy Properties

Formation Energy/atom

-0.03456

eV/atom

Energy/atom

-47.90733

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-47.9073

eV/atom

Volume/atom

20.07

Å³

c/a Ratio

0.4558

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0668

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.010630

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Pa · 0.400

Element Family

Actinide

Solute Fraction

0.600

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

2.4357

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.979%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3228

smaller = more stable mixing

VEC

6.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

5.272

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.468

Family

Pa-rich Multi-Component

Matrix Element

Pa · 0.400

Related Tasks

Related computation task IDs (1)

aaahdcfb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-3253043

Reference Citation

The crystal structure and related material properties of Pa2Mn2Pb were obtained from the Materials Project database (MP-ID: mp-3253043, 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

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Raw CIF Data

# generated using pymatgen
data_Pa2Mn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88197421
_cell_length_b   7.88197463
_cell_length_c   3.59223783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   153.28539910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa2Mn2Pb
_chemical_formula_sum   'Pa2 Mn2 Pb1'
_cell_volume   100.32516580
_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
  Pa  Pa0  1  0.65272442  0.34727558  0.50000000  1.0
  Pa  Pa1  1  0.34727558  0.65272442  0.50000000  1.0
  Mn  Mn2  1  0.81962766  0.18037234  0.00000000  1.0
  Mn  Mn3  1  0.18037234  0.81962766  0.00000000  1.0
  Pb  Pb4  1  0.00000000  0.00000000  0.00000000  1.0

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