SrIn6Cu7

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-680813 · Space group: Cmcm (#63)

Materials Project API

Basic Information

Formula

SrIn6Cu7

MP-ID

mp-680813

Elements

Sites

Density

8.0714

g/cm³

Volume

1,005.08

Å³

Cell a

8.9309

Cell b

8.9309

Cell c

12.6012

α Angle

90.00

β Angle

90.00

γ Angle

90.20

Space Group

Cmcm

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Orthorhombic C

Stability

Yes

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
14.00	6.3263	20.0	(1,-1,0)
14.05	6.3040	17.6	(1,1,0)
14.06	6.3006	17.1	(0,0,2)
19.88	4.4654	3.7	(2,0,0)
19.89	4.4643	3.6	(1,-1,2)
19.92	4.4564	8.2	(1,1,2)
23.39	3.8025	2.9	(2,1,1)
23.40	3.8010	2.9	(1,0,3)
25.48	3.4955	9.2	(1,1,3)
26.45	3.3699	2.6	(2,1,2)
28.31	3.1520	8.1	(2,2,0)
28.33	3.1503	7.5	(0,0,4)
29.19	3.0595	5.0	(2,0,3)
29.21	3.0578	1.0	(2,2,1)
30.02	2.9770	1.5	(3,0,0)
30.08	2.9709	2.2	(1,0,4)
30.86	2.8972	21.6	(3,0,1)
30.87	2.8966	23.8	(2,-1,3)
31.65	2.8272	25.0	(3,-1,0)
31.65	2.8269	24.1	(2,-2,2)
31.72	2.8212	26.5	(3,1,0)
31.73	2.8200	27.9	(1,-1,4)
31.74	2.8189	11.0	(2,2,2)
31.75	2.8180	9.3	(1,1,4)

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Energy Properties

Formation Energy/atom

-0.11457

eV/atom

Energy/atom

-3.46756

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-16.3623

eV/atom

Volume/atom

17.95

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

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

Cu · 0.500

Element Family

3d-TM

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.8982

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

7.4677

J/mol·K

Ω Parameter

2.0434

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

15.570%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.2375

smaller = more stable mixing

VEC

6.929

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-3.429

kJ/mol; negative = exothermic mixing

Entropy Norm

0.8176

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.709

Family

Cu-based Alloy

Matrix Element

Cu · 0.500

Related Tasks

Related computation task IDs (2)

aaacbrnp aaagjche

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-680813

Reference Citation

The crystal structure and related material properties of SrIn6Cu7 were obtained from the Materials Project database (MP-ID: mp-680813, 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

BibTeX

@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

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Raw CIF Data

# generated using pymatgen
data_SrIn6Cu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93093455
_cell_length_b   8.93093455
_cell_length_c   12.60118367
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.20258909
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIn6Cu7
_chemical_formula_sum   'Sr4 In24 Cu28'
_cell_volume   1005.08418576
_cell_formula_units_Z   4
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  0.75248025  0.24751975  0.50000000  1.0
  Sr  Sr1  1  0.24751975  0.75248025  0.50000000  1.0
  Sr  Sr2  1  0.24751975  0.75248025  0.00000000  1.0
  Sr  Sr3  1  0.75248025  0.24751975  0.00000000  1.0
  In  In4  1  0.38668438  0.11178442  0.43615517  1.0
  In  In5  1  0.11178442  0.38668438  0.43615517  1.0
  In  In6  1  0.11178442  0.38668438  0.06384483  1.0
  In  In7  1  0.61309775  0.61309775  0.43156950  1.0
  In  In8  1  0.78211478  0.05179074  0.25000000  1.0
  In  In9  1  0.88821558  0.61331562  0.93615517  1.0
  In  In10  1  0.59471167  0.31522070  0.75000000  1.0
  In  In11  1  0.61331562  0.88821558  0.56384483  1.0
  In  In12  1  0.68478030  0.40528833  0.25000000  1.0
  In  In13  1  0.61309775  0.61309775  0.06843050  1.0
  In  In14  1  0.93830209  0.93830209  0.88476335  1.0
  In  In15  1  0.06169791  0.06169791  0.38476335  1.0
  In  In16  1  0.38668438  0.11178442  0.06384483  1.0
  In  In17  1  0.61331562  0.88821558  0.93615517  1.0
  In  In18  1  0.94820926  0.21788522  0.75000000  1.0
  In  In19  1  0.38690225  0.38690225  0.93156950  1.0
  In  In20  1  0.05179074  0.78211478  0.25000000  1.0
  In  In21  1  0.21788522  0.94820926  0.75000000  1.0
  In  In22  1  0.38690225  0.38690225  0.56843050  1.0
  In  In23  1  0.31521970  0.59471167  0.75000000  1.0
  In  In24  1  0.93830209  0.93830209  0.61523665  1.0
  In  In25  1  0.06169791  0.06169791  0.11523665  1.0
  In  In26  1  0.88821558  0.61331562  0.56384483  1.0
  In  In27  1  0.40528833  0.68477930  0.25000000  1.0
  Cu  Cu28  1  0.58975928  0.58975928  0.85355341  1.0
  Cu  Cu29  1  0.03752178  0.69537770  0.75000000  1.0
  Cu  Cu30  1  0.90562867  0.56275945  0.35365226  1.0
  Cu  Cu31  1  0.76201556  0.76201556  0.75000000  1.0
  Cu  Cu32  1  0.90562867  0.56275945  0.14634774  1.0
  Cu  Cu33  1  0.74057024  0.74057024  0.25000000  1.0
  Cu  Cu34  1  0.84958690  0.84958690  0.08147379  1.0
  Cu  Cu35  1  0.41024072  0.41024072  0.35355341  1.0
  Cu  Cu36  1  0.84958690  0.84958690  0.41852621  1.0
  Cu  Cu37  1  0.16848887  0.51055278  0.25000000  1.0
  Cu  Cu38  1  0.83151113  0.48944722  0.75000000  1.0
  Cu  Cu39  1  0.43724055  0.09437133  0.64634774  1.0
  Cu  Cu40  1  0.56275945  0.90562867  0.35365226  1.0
  Cu  Cu41  1  0.69537770  0.03752178  0.75000000  1.0
  Cu  Cu42  1  0.30462230  0.96247822  0.25000000  1.0
  Cu  Cu43  1  0.56275945  0.90562867  0.14634774  1.0
  Cu  Cu44  1  0.09437133  0.43724055  0.64634774  1.0
  Cu  Cu45  1  0.23798444  0.23798444  0.25000000  1.0
  Cu  Cu46  1  0.43724055  0.09437133  0.85365226  1.0
  Cu  Cu47  1  0.48944722  0.83151113  0.75000000  1.0
  Cu  Cu48  1  0.09437133  0.43724055  0.85365226  1.0
  Cu  Cu49  1  0.96247822  0.30462230  0.25000000  1.0
  Cu  Cu50  1  0.41024072  0.41024072  0.14644659  1.0
  Cu  Cu51  1  0.51055278  0.16848887  0.25000000  1.0
  Cu  Cu52  1  0.58975928  0.58975928  0.64644659  1.0
  Cu  Cu53  1  0.15041310  0.15041310  0.91852621  1.0
  Cu  Cu54  1  0.15041310  0.15041310  0.58147379  1.0
  Cu  Cu55  1  0.25942976  0.25942976  0.75000000  1.0

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