InSn3

Traditional Materials TRA

MP-ID: mp-1184812 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

InSn3

MP-ID

mp-1184812

Elements

Sites

Density

7.2603

g/cm³

Volume

215.43

Å³

Cell a

6.6251

Cell b

6.6251

Cell c

5.6674

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 13)

2θ	d (Å)	I	hkl
31.18	2.8687	22.7	(2,0,-2,0)
31.57	2.8337	29.3	(0,0,0,2)
35.06	2.5595	100.0	(2,0,-2,1)
44.96	2.0160	16.7	(2,0,-2,2)
55.48	1.6563	18.1	(4,-2,-2,0)
58.50	1.5778	23.2	(2,0,-2,3)
65.02	1.4344	2.8	(4,0,-4,0)
65.25	1.4299	22.5	(4,-2,-2,2)
65.93	1.4169	3.6	(0,0,0,4)
67.34	1.3905	15.4	(4,0,-4,1)
74.08	1.2798	4.0	(4,0,-4,2)
74.72	1.2704	3.9	(2,0,-2,4)
84.88	1.1424	8.6	(4,0,-4,3)

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Energy Properties

Formation Energy/atom

0.17744

eV/atom

Energy/atom

-24.02684

eV/atom

Energy above Hull

0.1774

eV/atom

Uncorrected Energy

-24.0268

eV/atom

Volume/atom

26.93

Å³

c/a Ratio

0.8555

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0000

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

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

0.813

Family

Binary Alloy

Matrix Element

Sn · 0.750

Related Tasks

Related computation task IDs (4)

aaadpear aaadvqcm aaaemcky aaaeqbed

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1184812

Reference Citation

The crystal structure and related material properties of InSn3 were obtained from the Materials Project database (MP-ID: mp-1184812, 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_InSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62505342
_cell_length_b   6.62505342
_cell_length_c   5.66743730
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000036
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSn3
_chemical_formula_sum   'In2 Sn6'
_cell_volume   215.42501046
_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
  In  In0  1  0.33333300  0.66666700  0.75000000  1.0
  In  In1  1  0.66666700  0.33333300  0.25000000  1.0
  Sn  Sn2  1  0.16513133  0.33026067  0.25000000  1.0
  Sn  Sn3  1  0.66973933  0.83486867  0.25000000  1.0
  Sn  Sn4  1  0.16513133  0.83486867  0.25000000  1.0
  Sn  Sn5  1  0.83486867  0.66973933  0.75000000  1.0
  Sn  Sn6  1  0.33026067  0.16513133  0.75000000  1.0
  Sn  Sn7  1  0.83486867  0.16513133  0.75000000  1.0

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