Mn3AgN

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-10666 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

Mn3AgN

MP-ID

mp-10666

Elements

Sites

Density

7.4184

g/cm³

Volume

64.17

Å³

Cell a

4.0036

Cell b

4.0036

Cell c

4.0036

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 12)

2θ	d (Å)	I	hkl
22.20	4.0036	7.3	(1,0,0)
31.60	2.8310	18.5	(1,1,0)
38.96	2.3115	100.0	(1,1,1)
45.30	2.0018	56.9	(2,0,0)
51.01	1.7905	3.9	(2,1,0)
56.29	1.6345	6.5	(2,1,1)
66.00	1.4155	33.4	(2,2,0)
70.57	1.3345	2.0	(3,0,0)
75.02	1.2661	2.7	(3,1,0)
79.38	1.2071	33.1	(3,1,1)
83.68	1.1557	11.1	(2,2,2)
87.94	1.1104	1.0	(3,2,0)

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Energy Properties

Formation Energy/atom

-0.17710

eV/atom

Energy/atom

-15.08403

eV/atom

Energy above Hull

0.1014

eV/atom

Uncorrected Energy

-7.8018

eV/atom

Volume/atom

12.83

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

9.9345

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.154810

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.600

Element Family

3d-TM

Solute Fraction

0.400

Interstitial Fraction

0.200

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.9503

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.9005

J/mol·K

Ω Parameter

0.2544

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

19.536%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.5771

smaller = more stable mixing

VEC

7.400

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-36.363

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8650

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.672

Family

Interstitial Alloy

Matrix Element

Mn · 0.600

Related Tasks

Related computation task IDs (5)

aaadmovv aaadtahu aaaetcfw aaafasxr aaafjidl

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-10666

Reference Citation

The crystal structure and related material properties of Mn3AgN were obtained from the Materials Project database (MP-ID: mp-10666, 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_Mn3AgN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00359500
_cell_length_b   4.00359500
_cell_length_c   4.00359500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3AgN
_chemical_formula_sum   'Mn3 Ag1 N1'
_cell_volume   64.17271513
_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
  Mn  Mn0  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn1  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.50000000  1.0
  Ag  Ag3  1  0.00000000  0.00000000  0.00000000  1.0
  N  N4  1  0.50000000  0.50000000  0.50000000  1.0

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