Sr(CoSi)2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1069057 · Space group: I4/mmm (#139)

Materials Project API

Basic Information

Formula

Sr(CoSi)2

MP-ID

mp-1069057

Elements

Sites

Density

5.2412

g/cm³

Volume

82.90

Å³

Cell a

6.0959

Cell b

6.0959

Cell c

6.0959

α Angle

142.63

β Angle

142.63

γ Angle

53.88

Space Group

I4/mmm

Point Group

4/mmm

Crystal System

Tetragonal

Bravais Lattice

Stability

Yes

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
16.31	5.4344	15.8	(1,1,-1)
24.21	3.6756	21.2	(1,0,0)
32.96	2.7172	23.6	(2,2,-2)
33.74	2.6562	65.8	(2,1,-1)
36.49	2.4621	100.0	(1,1,0)
46.50	1.9529	46.2	(1,-1,1)
46.91	1.9369	8.2	(2,2,-1)
47.89	1.8994	9.7	(3,2,-2)
49.60	1.8378	2.7	(2,0,0)
53.11	1.7246	5.3	(1,0,1)
58.17	1.5858	17.3	(3,1,-1)
58.68	1.5734	25.6	(2,1,0)
61.19	1.5147	35.7	(3,3,-2)
67.87	1.3809	14.2	(0,0,2)
68.97	1.3616	6.5	(3,2,-1)
69.14	1.3586	5.0	(4,4,-4)
73.22	1.2927	1.0	(2,-1,1)
77.55	1.2310	7.0	(2,2,0)
77.99	1.2252	5.7	(3,0,0)
79.60	1.2044	18.5	(2,0,1)
83.85	1.1538	3.3	(5,4,-4)
86.57	1.1244	2.2	(3,1,0)
87.30	1.1169	1.8	(4,1,-1)
87.46	1.1153	10.6	(5,3,-3)

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Energy Properties

Formation Energy/atom

-0.45703

eV/atom

Energy/atom

-12.28936

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.2894

eV/atom

Volume/atom

16.58

Å³

c/a Ratio

1.0000

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

Co · 0.400

Element Family

3d-TM

Solute Fraction

0.600

Interstitial Fraction

0.400

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0549

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.7706

J/mol·K

Ω Parameter

0.6233

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

23.247%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.3761

smaller = more stable mixing

VEC

5.600

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

-22.400

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9602

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.606

Family

Co-rich Multi-Component

Matrix Element

Co · 0.400

Related Tasks

Related computation task IDs (5)

aaacivnv aaadsyud aaaelzqy aaaeusif aaafcaym

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1069057

Reference Citation

The crystal structure and related material properties of Sr(CoSi)2 were obtained from the Materials Project database (MP-ID: mp-1069057, 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_Sr(CoSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09591561
_cell_length_b   6.09591561
_cell_length_c   6.09591561
_cell_angle_alpha   142.63119776
_cell_angle_beta   142.63119776
_cell_angle_gamma   53.87914323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr(CoSi)2
_chemical_formula_sum   'Sr1 Co2 Si2'
_cell_volume   82.89991304
_cell_formula_units_Z   1
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  0.00000000  0.00000000  -0.00000000  1.0
  Co  Co1  1  0.75000000  0.25000000  0.50000000  1.0
  Co  Co2  1  0.25000000  0.75000000  0.50000000  1.0
  Si  Si3  1  0.64891887  0.64891887  0.00000000  1.0
  Si  Si4  1  0.35108113  0.35108113  -0.00000000  1.0

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