CoSi

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-7577 · Space group: P2_13 (#198)

Materials Project API

Basic Information

Formula

CoSi

MP-ID

mp-7577

Elements

Sites

Density

6.8639

g/cm³

Volume

84.21

Å³

Cell a

4.3831

Cell b

4.3831

Cell c

4.3831

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P2_13

Point Group

Crystal System

Cubic

Bravais Lattice

Stability

Yes

Packing Fraction

0.5236

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 12)

2θ	d (Å)	I	hkl
28.81	3.0993	20.4	(1,1,0)
35.47	2.5306	15.8	(1,1,1)
41.19	2.1916	9.9	(2,0,0)
46.32	1.9602	100.0	(2,1,0)
51.04	1.7894	47.1	(2,1,1)
63.69	1.4610	6.1	(2,2,1)
67.59	1.3861	3.2	(3,1,0)
71.37	1.3216	9.6	(3,1,1)
75.07	1.2653	2.7	(2,2,2)
78.72	1.2157	5.4	(3,2,0)
82.31	1.1714	29.4	(3,2,1)
89.42	1.0958	7.1	(4,0,0)

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Energy Properties

Formation Energy/atom

-0.49293

eV/atom

Energy/atom

-11.49692

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-11.4969

eV/atom

Volume/atom

10.53

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

K_VRH

226.984

GPa

G_VRH

115.850

GPa

Young's Modulus E

297.018

GPa

Poisson Ratio ν

0.282

Pugh Ratio K/G

1.959

Vickers Hardness Est.

11.678

GPa

Ductility

Brittle

Anisotropy

0.010

Lame λ

149.751

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.500

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.834

Family

Co-based Alloy

Matrix Element

Co · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0100

Homogeneous Poisson ν

0.2820

Debye Temperature

621.8

Sound Velocity

4,578.5

m/s

Homogeneity

0.2820

Related Tasks

Related computation task IDs (5)

aaadmjfw aaadsvyl aaaelhdj aaaeupge aaafiiej

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-7577

Reference Citation

The crystal structure and related material properties of CoSi were obtained from the Materials Project database (MP-ID: mp-7577, 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_CoSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38311810
_cell_length_b   4.38311810
_cell_length_c   4.38311810
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSi
_chemical_formula_sum   'Co4 Si4'
_cell_volume   84.20725642
_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
  Co  Co0  1  0.85409671  0.64590329  0.35409671  1.0
  Co  Co1  1  0.64590329  0.35409671  0.85409671  1.0
  Co  Co2  1  0.35409671  0.85409671  0.64590329  1.0
  Co  Co3  1  0.14590329  0.14590329  0.14590329  1.0
  Si  Si4  1  0.15653929  0.34346071  0.65653929  1.0
  Si  Si5  1  0.34346071  0.65653929  0.15653929  1.0
  Si  Si6  1  0.65653929  0.15653929  0.34346071  1.0
  Si  Si7  1  0.84346071  0.84346071  0.84346071  1.0

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