SrIn

Traditional Materials TRA

MP-ID: mp-655461 · Space group: Fdd2 (#43)

Materials Project API

Basic Information

Formula

SrIn

MP-ID

mp-655461

Elements

Sites

Density

4.8806

g/cm³

Volume

551.01

Å³

Cell a

6.5648

Cell b

6.5647

Cell c

13.6508

α Angle

101.36

β Angle

101.36

γ Angle

100.21

Space Group

Fdd2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
13.63	6.4957	65.9	(0,0,2)
14.12	6.2716	2.8	(1,0,0)
14.12	6.2716	2.7	(0,1,0)
14.13	6.2683	2.7	(1,0,-1)
14.13	6.2682	2.8	(0,1,-1)
17.11	5.1815	1.5	(0,1,1)
17.11	5.1814	1.5	(1,0,1)
17.13	5.1760	1.6	(1,0,-2)
17.13	5.1758	1.5	(0,1,-2)
21.94	4.0516	1.5	(0,1,2)
21.94	4.0515	1.5	(1,0,2)
21.96	4.0471	1.5	(1,0,-3)
21.96	4.0470	1.5	(0,1,-3)
22.18	4.0073	11.4	(1,1,0)
22.20	4.0038	11.8	(1,1,-2)
27.46	3.2478	57.3	(0,0,4)
27.70	3.2201	4.3	(0,1,3)
27.70	3.2200	4.3	(1,0,3)
27.73	3.2170	4.6	(1,0,-4)
27.73	3.2169	4.6	(0,1,-4)
28.46	3.1358	60.0	(2,0,0)
28.46	3.1358	60.1	(0,2,0)
28.48	3.1342	61.2	(2,0,-2)
28.48	3.1341	61.4	(0,2,-2)

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Energy Properties

Formation Energy/atom

-0.41596

eV/atom

Energy/atom

-2.64176

eV/atom

Energy above Hull

0.0041

eV/atom

Uncorrected Energy

-19.4073

eV/atom

Volume/atom

34.44

Å³

c/a Ratio

2.0794

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

Sr · 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

0.621

Family

Binary Alloy

Matrix Element

Sr · 0.500

Related Tasks

Related computation task IDs (4)

aaadmdtw aaadtjxp aaaemrjd aaaetmpt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-655461

Reference Citation

The crystal structure and related material properties of SrIn were obtained from the Materials Project database (MP-ID: mp-655461, 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_SrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56479107
_cell_length_b   6.56468867
_cell_length_c   13.65078517
_cell_angle_alpha   101.35611096
_cell_angle_beta   101.36036908
_cell_angle_gamma   100.20686468
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn
_chemical_formula_sum   'Sr8 In8'
_cell_volume   551.01297240
_cell_formula_units_Z   8
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  0.71775201  0.42015450  0.64048109  1.0
  Sr  Sr1  1  0.20589976  0.91569094  0.15416809  1.0
  Sr  Sr2  1  0.78024781  0.07905160  0.36030161  1.0
  Sr  Sr3  1  0.30366236  0.51297960  0.34737790  1.0
  Sr  Sr4  1  0.32914509  0.53094180  0.86027550  1.0
  Sr  Sr5  1  0.76257902  0.05465738  0.84748820  1.0
  Sr  Sr6  1  0.16455921  0.95589293  0.65413005  1.0
  Sr  Sr7  1  0.67021530  0.46847580  0.14057134  1.0
  In  In8  1  0.87004452  0.63229395  0.42652006  1.0
  In  In9  1  0.28722218  0.03796301  0.93068761  1.0
  In  In10  1  0.10789700  0.35765756  0.07102311  1.0
  In  In11  1  0.20496884  0.44388251  0.57445129  1.0
  In  In12  1  0.69381071  0.95573745  0.07458888  1.0
  In  In13  1  0.88256302  0.62104982  0.92661028  1.0
  In  In14  1  0.60640985  0.85768334  0.57098329  1.0
  In  In15  1  0.28713632  0.03751380  0.43059469  1.0

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