MnIn2W

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-632623 · Space group: F-43m (#216)

Materials Project API

Basic Information

Formula

MnIn2W

MP-ID

mp-632623

Elements

Sites

Density

10.7216

g/cm³

Volume

72.55

Å³

Cell a

4.6814

Cell b

4.6814

Cell c

4.6814

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

F-43m

Point Group

-43m

Crystal System

Cubic

Bravais Lattice

Stability

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 13)

2θ	d (Å)	I	hkl
23.27	3.8224	8.3	(1,1,1)
26.93	3.3103	8.8	(1,1,0)
38.46	2.3407	100.0	(2,1,1)
45.44	1.9962	4.5	(2,2,1)
47.58	1.9112	2.7	(2,2,2)
55.52	1.6551	16.8	(2,2,0)
61.00	1.5189	2.0	(3,2,2)
62.77	1.4804	3.7	(3,2,1)
69.56	1.3514	33.7	(3,3,2)
74.47	1.2741	1.5	(3,3,3)
82.40	1.1704	10.6	(4,2,2)
87.08	1.1191	1.6	(4,3,2)
88.64	1.1034	2.0	(4,3,3)

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Energy Properties

Formation Energy/atom

0.70295

eV/atom

Energy/atom

-27.09913

eV/atom

Energy above Hull

0.7030

eV/atom

Uncorrected Energy

-6.2029

eV/atom

Volume/atom

18.14

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

1.0337

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.014250

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

In · 0.500

Element Family

PostTransition-Noble

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

0.4975

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

11.681%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2994

smaller = more stable mixing

VEC

4.750

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

26.380

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.309

Family

In-rich Multi-Component

Matrix Element

In · 0.500

Related Tasks

Related computation task IDs (5)

aaadnxwc aaadwpeg aaadyjga aaaeslkv aaafbrdg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-632623

Reference Citation

The crystal structure and related material properties of MnIn2W were obtained from the Materials Project database (MP-ID: mp-632623, 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_MnIn2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68142024
_cell_length_b   4.68142024
_cell_length_c   4.68142024
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnIn2W
_chemical_formula_sum   'Mn1 In2 W1'
_cell_volume   72.54673785
_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  0.75000000  0.75000000  0.75000000  1.0
  In  In1  1  0.25000000  0.25000000  0.25000000  1.0
  In  In2  1  0.50000000  0.50000000  0.50000000  1.0
  W  W3  1  0.00000000  0.00000000  0.00000000  1.0

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