MnSn

Traditional Materials TRA

MP-ID: mp-999507 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MnSn

MP-ID

mp-999507

Elements

Sites

Density

7.2465

g/cm³

Volume

79.58

Å³

Cell a

4.0688

Cell b

4.0688

Cell c

5.5509

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
30.04	2.9749	49.9	(0,1,-1,1)
30.04	2.9749	100.0	(1,0,-1,1)
32.25	2.7755	7.9	(0,0,0,2)
41.41	2.1803	25.8	(0,1,-1,2)
41.41	2.1803	51.5	(1,0,-1,2)
44.54	2.0344	48.6	(1,1,-2,0)
44.54	2.0344	24.3	(2,-1,-1,0)
54.66	1.6793	9.7	(0,2,-2,1)
54.66	1.6793	19.3	(2,0,-2,1)
56.05	1.6408	7.8	(1,1,-2,2)
56.05	1.6408	3.9	(2,-1,-1,2)
56.15	1.6382	8.9	(0,1,-1,3)
56.15	1.6382	17.9	(1,0,-1,3)
62.43	1.4875	7.4	(0,2,-2,2)
62.43	1.4874	14.8	(2,0,-2,2)
67.49	1.3877	7.0	(0,0,0,4)
73.06	1.2951	8.5	(1,2,-3,1)
73.06	1.2951	8.5	(2,1,-3,1)
73.07	1.2951	8.5	(3,-1,-2,1)
74.34	1.2759	4.1	(0,2,-2,3)
74.34	1.2759	8.1	(2,0,-2,3)
79.89	1.2007	7.3	(1,2,-3,2)
79.89	1.2007	7.3	(2,1,-3,2)
79.89	1.2007	7.3	(3,-1,-2,2)

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Energy Properties

Formation Energy/atom

0.14741

eV/atom

Energy/atom

-19.56735

eV/atom

Energy above Hull

0.1474

eV/atom

Uncorrected Energy

-6.4384

eV/atom

Volume/atom

19.90

Å³

c/a Ratio

1.3643

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

5.5707

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.070000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mn · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.691

Family

Binary Alloy

Matrix Element

Mn · 0.500

Related Tasks

Related computation task IDs (5)

aaadntgy aaadurkk aaadymjm aaaetqci aaafsihm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-999507

Reference Citation

The crystal structure and related material properties of MnSn were obtained from the Materials Project database (MP-ID: mp-999507, 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_MnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06875000
_cell_length_b   4.06876224
_cell_length_c   5.55092500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99990045
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn
_chemical_formula_sum   'Mn2 Sn2'
_cell_volume   79.58289722
_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  0.00000000  0.00000000  0.50000000  1.0
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn2  1  0.33325400  0.66650900  0.25000000  1.0
  Sn  Sn3  1  0.66674600  0.33349100  0.75000000  1.0

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