MnCoSn

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1024996 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MnCoSn

MP-ID

mp-1024996

Elements

Sites

Density

9.0919

g/cm³

Volume

84.96

Å³

Cell a

4.3614

Cell b

4.3614

Cell c

5.1573

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

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 24)

2θ	d (Å)	I	hkl
23.55	3.7771	4.6	(1,0,-1,0)
23.55	3.7771	2.3	(1,-1,0,0)
29.31	3.0472	37.4	(1,0,-1,1)
34.79	2.5787	17.1	(0,0,0,2)
41.41	2.1807	45.3	(1,1,-2,0)
41.41	2.1807	90.7	(2,-1,-1,0)
42.45	2.1297	100.0	(1,0,-1,2)
48.19	1.8885	1.2	(2,0,-2,0)
51.54	1.7734	6.1	(2,0,-2,1)
51.54	1.7734	3.0	(2,-2,0,1)
55.16	1.6651	9.4	(1,1,-2,2)
55.16	1.6651	18.8	(2,-1,-1,2)
59.04	1.5647	6.4	(1,0,-1,3)
60.79	1.5236	22.1	(2,0,-2,2)
60.79	1.5236	11.0	(2,-2,0,2)
68.16	1.3759	3.0	(2,1,-3,1)
68.16	1.3759	6.0	(3,-1,-2,1)
73.44	1.2893	8.0	(0,0,0,4)
74.66	1.2713	2.4	(2,0,-2,3)
74.66	1.2713	1.2	(2,-2,0,3)
75.51	1.2590	14.9	(3,0,-3,0)
75.51	1.2590	7.4	(3,-3,0,0)
76.23	1.2490	11.2	(2,1,-3,2)
76.23	1.2490	22.4	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

0.29481

eV/atom

Energy/atom

-6.47352

eV/atom

Energy above Hull

0.3670

eV/atom

Uncorrected Energy

-6.4735

eV/atom

Volume/atom

14.16

Å³

c/a Ratio

1.1825

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.4765

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.099770

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.333

Element Family

3d-TM

Solute Fraction

0.667

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0986

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

9.1339

J/mol·K

Ω Parameter

2.3308

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

8.794%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1775

smaller = more stable mixing

VEC

6.667

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

4.953

kJ/mol; negative = exothermic mixing

Entropy Norm

1.0000

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.395

Family

Mn-rich Multi-Component

Matrix Element

Mn · 0.333

Related Tasks

Related computation task IDs (5)

aaadoplr aaadwcxa aaadyimo aaaesnvc aaafbnfw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1024996

Reference Citation

The crystal structure and related material properties of MnCoSn were obtained from the Materials Project database (MP-ID: mp-1024996, 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_MnCoSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.36136535
_cell_length_b   4.36136535
_cell_length_c   5.15732400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999013
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoSn
_chemical_formula_sum   'Mn2 Co2 Sn2'
_cell_volume   84.95716831
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.75000000  1.0
  Mn  Mn1  1  0.66666700  0.33333300  0.25000000  1.0
  Co  Co2  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn4  1  0.33333300  0.66666700  0.25000000  1.0
  Sn  Sn5  1  0.66666700  0.33333300  0.75000000  1.0

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