Mn3Sn

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1018023 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

Mn3Sn

MP-ID

mp-1018023

Elements

Sites

Density

8.2117

g/cm³

Volume

57.33

Å³

Cell a

4.3282

Cell b

4.3282

Cell c

4.3282

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

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 10)

2θ	d (Å)	I	hkl
25.20	3.5340	12.3	(1,1,1)
29.18	3.0605	6.5	(1,1,0)
41.74	2.1641	100.0	(2,1,1)
49.38	1.8456	7.0	(2,2,1)
51.74	1.7670	2.1	(2,2,2)
60.50	1.5303	16.0	(2,2,0)
66.60	1.4043	3.3	(3,2,2)
68.56	1.3687	3.0	(3,2,1)
76.20	1.2494	31.9	(3,3,2)
81.75	1.1780	2.8	(3,3,3)

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Energy Properties

Formation Energy/atom

0.22308

eV/atom

Energy/atom

-16.97597

eV/atom

Energy above Hull

0.2231

eV/atom

Uncorrected Energy

-7.6508

eV/atom

Volume/atom

14.33

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

7.1389

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.124520

μB/Å³

Elastic Properties

K_VRH

138.520

GPa

G_VRH

27.863

GPa

Young's Modulus E

78.337

GPa

Poisson Ratio ν

0.406

Pugh Ratio K/G

4.971

Vickers Hardness Est.

0.000

GPa

Ductility

Brittle

Anisotropy

16.772

Lame λ

119.945

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.738

Family

Binary Alloy

Matrix Element

Mn · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

16.7720

Homogeneous Poisson ν

0.4060

Debye Temperature

255.7

Sound Velocity

2,086.9

m/s

Homogeneity

0.4060

Related Tasks

Related computation task IDs (5)

aaacioeb aaadhpry aaadwjos aaaetqgo aaafxbop

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1018023

Reference Citation

The crystal structure and related material properties of Mn3Sn were obtained from the Materials Project database (MP-ID: mp-1018023, 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_Mn3Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32819495
_cell_length_b   4.32819495
_cell_length_c   4.32819495
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Sn
_chemical_formula_sum   'Mn3 Sn1'
_cell_volume   57.33310259
_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
  Mn  Mn1  1  0.25000000  0.25000000  0.25000000  1.0
  Mn  Mn2  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn3  1  0.00000000  0.00000000  0.00000000  1.0

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