K2SrIn7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-867362 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

K2SrIn7

MP-ID

mp-867362

Elements

Sites

Density

5.1108

g/cm³

Volume

630.03

Å³

Cell a

6.6229

Cell b

6.6229

Cell c

20.1129

α Angle

90.00

β Angle

90.00

γ Angle

134.43

Space Group

Cmcm

Point Group

mmm

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
8.79	10.0565	32.0	(0,0,2)
14.51	6.1060	20.3	(1,-1,0)
16.99	5.2192	2.5	(1,-1,2)
17.64	5.0282	5.8	(0,0,4)
18.76	4.7298	5.9	(1,0,0)
19.28	4.6042	17.0	(1,0,1)
19.67	4.5143	26.1	(1,-1,3)
20.75	4.2800	8.5	(1,0,2)
23.01	3.8648	3.0	(1,0,3)
26.59	3.3522	4.1	(0,0,6)
28.34	3.1494	1.3	(2,-1,1)
29.14	3.0642	100.0	(1,0,5)
29.25	3.0530	16.9	(2,-2,0)
29.38	3.0396	79.5	(2,-1,2)
30.42	2.9385	13.4	(1,-1,6)
30.60	2.9213	6.0	(2,-2,2)
32.22	2.7785	29.2	(2,-2,3)
33.27	2.6929	21.0	(2,-1,4)
34.36	2.6096	8.9	(2,-2,4)
34.50	2.5998	23.9	(1,-1,7)
34.98	2.5651	63.1	(1,1,0)
35.94	2.4989	52.7	(2,-1,5)
36.14	2.4855	2.5	(1,1,2)
36.59	2.4557	4.7	(1,0,7)

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Energy Properties

Formation Energy/atom

-0.21812

eV/atom

Energy/atom

-2.54505

eV/atom

Energy above Hull

0.0118

eV/atom

Uncorrected Energy

-2.5451

eV/atom

Volume/atom

31.50

Å³

c/a Ratio

3.0369

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0005

μB

Mag. Ordering

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 · 0.700

Element Family

PostTransition-Noble

Solute Fraction

0.300

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8018

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

6.6663

J/mol·K

Ω Parameter

0.0000

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

12.079%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4214

smaller = more stable mixing

VEC

2.500

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

0.000

kJ/mol; negative = exothermic mixing

Entropy Norm

0.7298

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.572

Family

In-rich Multi-Component

Matrix Element

In · 0.700

Related Tasks

Related computation task IDs (4)

aaadnyyw aaadwoxe aaaednfm aaaetdhu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-867362

Reference Citation

The crystal structure and related material properties of K2SrIn7 were obtained from the Materials Project database (MP-ID: mp-867362, 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_K2SrIn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62286517
_cell_length_b   6.62286517
_cell_length_c   20.11289300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   134.42602158
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2SrIn7
_chemical_formula_sum   'K4 Sr2 In14'
_cell_volume   630.02641448
_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
  K  K0  1  0.83868500  0.16131500  0.94841700  1.0
  K  K1  1  0.16131500  0.83868500  0.44841700  1.0
  K  K2  1  0.16131500  0.83868500  0.05158300  1.0
  K  K3  1  0.83868500  0.16131500  0.55158300  1.0
  Sr  Sr4  1  0.34163700  0.65836300  0.25000000  1.0
  Sr  Sr5  1  0.65836300  0.34163700  0.75000000  1.0
  In  In6  1  0.12214500  0.87785500  0.86979300  1.0
  In  In7  1  0.87785500  0.12214500  0.36979300  1.0
  In  In8  1  0.87785500  0.12214500  0.13020700  1.0
  In  In9  1  0.12214500  0.87785500  0.63020700  1.0
  In  In10  1  0.54314800  0.45685200  0.92901900  1.0
  In  In11  1  0.45685200  0.54314800  0.42901900  1.0
  In  In12  1  0.45685200  0.54314800  0.07098100  1.0
  In  In13  1  0.54314800  0.45685200  0.57098100  1.0
  In  In14  1  0.04480000  0.95520000  0.25000000  1.0
  In  In15  1  0.95520000  0.04480000  0.75000000  1.0
  In  In16  1  0.36083600  0.63916400  0.82558500  1.0
  In  In17  1  0.63916400  0.36083600  0.32558500  1.0
  In  In18  1  0.63916400  0.36083600  0.17441500  1.0
  In  In19  1  0.36083600  0.63916400  0.67441500  1.0

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