SrIn3

Traditional Materials TRA

MP-ID: mp-1080608 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

SrIn3

MP-ID

mp-1080608

Elements

Sites

Density

6.1344

g/cm³

Volume

233.92

Å³

Cell a

7.4380

Cell b

7.4380

Cell c

4.8823

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
13.75	6.4415	12.5	(1,0,-1,0)
27.70	3.2208	26.6	(2,0,-2,0)
33.33	2.6885	100.0	(2,0,-2,1)
36.82	2.4411	18.4	(0,0,0,2)
36.92	2.4347	3.7	(3,-1,-2,0)
39.48	2.2827	1.9	(1,0,-1,2)
41.44	2.1788	1.4	(2,1,-3,1)
41.44	2.1788	2.7	(3,-1,-2,1)
46.19	1.9655	4.9	(3,0,-3,1)
46.19	1.9655	2.5	(3,-3,0,1)
46.69	1.9455	12.5	(2,0,-2,2)
48.99	1.8595	18.2	(4,-2,-2,0)
53.13	1.7239	2.5	(3,-1,-2,2)
57.20	1.6104	2.9	(4,0,-4,0)
60.54	1.5293	8.3	(4,0,-4,1)
60.54	1.5293	4.1	(4,-4,0,1)
62.82	1.4792	5.6	(2,2,-4,2)
62.82	1.4792	11.2	(4,-2,-2,2)
62.89	1.4778	1.3	(3,2,-5,0)
62.89	1.4778	2.7	(5,-2,-3,0)
64.11	1.4525	14.4	(2,0,-2,3)
69.60	1.3508	2.1	(5,-1,-4,1)
69.60	1.3508	1.1	(5,-4,-1,1)
69.99	1.3442	2.1	(4,0,-4,2)

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Energy Properties

Formation Energy/atom

-0.29974

eV/atom

Energy/atom

-2.79222

eV/atom

Energy above Hull

0.0318

eV/atom

Uncorrected Energy

-21.1361

eV/atom

Volume/atom

29.24

Å³

c/a Ratio

0.6564

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

In · 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

0.620

Family

Binary Alloy

Matrix Element

In · 0.750

Related Tasks

Related computation task IDs (5)

aaadneof aaadsubf aaaeluhc aaaeualn aaafskgm

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1080608

Reference Citation

The crystal structure and related material properties of SrIn3 were obtained from the Materials Project database (MP-ID: mp-1080608, 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_SrIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43802575
_cell_length_b   7.43802575
_cell_length_c   4.88227531
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999349
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn3
_chemical_formula_sum   'Sr2 In6'
_cell_volume   233.92049833
_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
  Sr  Sr0  1  0.33333300  0.66666700  0.25000000  1.0
  Sr  Sr1  1  0.66666700  0.33333300  0.75000000  1.0
  In  In2  1  0.85219320  0.14780680  0.25000000  1.0
  In  In3  1  0.85219320  0.70438640  0.25000000  1.0
  In  In4  1  0.29561360  0.14780680  0.25000000  1.0
  In  In5  1  0.14780680  0.85219320  0.75000000  1.0
  In  In6  1  0.14780680  0.29561360  0.75000000  1.0
  In  In7  1  0.70438640  0.85219320  0.75000000  1.0

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