MnSn3

Traditional Materials TRA

MP-ID: mp-974906 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MnSn3

MP-ID

mp-974906

Elements

Sites

Density

6.9577

g/cm³

Volume

196.21

Å³

Cell a

6.4393

Cell b

6.4393

Cell c

5.4642

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
15.89	5.5766	1.6	(1,0,-1,0)
22.78	3.9029	13.8	(1,0,-1,1)
27.71	3.2196	3.0	(2,-1,-1,0)
27.71	3.2196	1.5	(1,1,-2,0)
32.10	2.7883	11.4	(2,-2,0,0)
32.10	2.7883	22.9	(2,0,-2,0)
32.78	2.7321	43.5	(0,0,0,2)
36.17	2.4836	50.0	(2,-2,0,1)
36.17	2.4836	100.0	(2,0,-2,1)
42.91	2.1077	2.2	(3,-1,-2,0)
43.44	2.0832	3.0	(2,-1,-1,2)
46.16	1.9665	2.3	(3,-1,-2,1)
46.54	1.9514	24.7	(2,0,-2,2)
52.88	1.7314	1.1	(1,0,-1,3)
55.03	1.6688	1.5	(3,-1,-2,2)
57.23	1.6098	26.6	(4,-2,-2,0)
60.21	1.5369	1.4	(3,0,-3,2)
60.74	1.5249	33.9	(2,0,-2,3)
62.40	1.4882	1.4	(4,-1,-3,1)
67.14	1.3941	4.2	(4,0,-4,0)
67.54	1.3870	32.9	(4,-2,-2,2)
68.71	1.3660	5.3	(0,0,0,4)
69.60	1.3509	22.6	(4,0,-4,1)
76.47	1.2457	1.5	(5,-2,-3,1)

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Energy Properties

Formation Energy/atom

0.27943

eV/atom

Energy/atom

-21.95104

eV/atom

Energy above Hull

0.2794

eV/atom

Uncorrected Energy

-5.0183

eV/atom

Volume/atom

24.53

Å³

c/a Ratio

0.8486

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

8.1770

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.041670

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Sn · 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

0.700

Family

Binary Alloy

Matrix Element

Sn · 0.750

Related Tasks

Related computation task IDs (5)

aaadbdgg aaadojkd aaadvrcd aaaeqbef aaafbgry

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-974906

Reference Citation

The crystal structure and related material properties of MnSn3 were obtained from the Materials Project database (MP-ID: mp-974906, 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_MnSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43926469
_cell_length_b   6.43926469
_cell_length_c   5.46416500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000707
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSn3
_chemical_formula_sum   'Mn2 Sn6'
_cell_volume   196.21263064
_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  0.66666700  0.33333300  0.25000000  1.0
  Mn  Mn1  1  0.33333300  0.66666700  0.75000000  1.0
  Sn  Sn2  1  0.82903400  0.17096600  0.75000000  1.0
  Sn  Sn3  1  0.34193300  0.17096600  0.75000000  1.0
  Sn  Sn4  1  0.82903400  0.65806700  0.75000000  1.0
  Sn  Sn5  1  0.17096600  0.82903400  0.25000000  1.0
  Sn  Sn6  1  0.65806700  0.82903400  0.25000000  1.0
  Sn  Sn7  1  0.17096600  0.34193300  0.25000000  1.0

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