CrSi

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-7576 · Space group: P2_13 (#198)

Materials Project API

Basic Information

Formula

CrSi

MP-ID

mp-7576

Elements

Sites

Density

5.4664

g/cm³

Volume

97.31

Å³

Cell a

4.5995

Cell b

4.5995

Cell c

4.5995

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P2_13

Point Group

Crystal System

Cubic

Bravais Lattice

Stability

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 13)

2θ	d (Å)	I	hkl
27.42	3.2524	15.6	(1,1,0)
33.75	2.6555	16.2	(1,1,1)
39.17	2.2998	5.7	(2,0,0)
44.02	2.0570	100.0	(2,1,0)
48.48	1.8778	52.1	(2,1,1)
60.37	1.5332	3.4	(3,0,0)
64.01	1.4545	2.0	(3,1,0)
67.54	1.3868	10.8	(3,1,1)
70.99	1.3278	2.1	(2,2,2)
74.36	1.2757	6.2	(3,2,0)
77.68	1.2293	28.1	(3,2,1)
84.20	1.1499	8.3	(4,0,0)
87.43	1.1156	2.7	(3,2,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.14237

eV/atom

Energy/atom

-12.06593

eV/atom

Energy above Hull

0.0688

eV/atom

Uncorrected Energy

-7.8300

eV/atom

Volume/atom

12.16

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0006

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000010

μB/Å³

Elastic Properties

K_VRH

183.655

GPa

G_VRH

118.732

GPa

Young's Modulus E

293.045

GPa

Poisson Ratio ν

0.234

Pugh Ratio K/G

1.547

Vickers Hardness Est.

16.634

GPa

Ductility

Ductile

Anisotropy

0.004

Lame λ

104.500

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 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

0.788

Family

Binary Alloy

Matrix Element

Cr · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.0040

Homogeneous Poisson ν

0.2340

Debye Temperature

668.4

Sound Velocity

5,164.5

m/s

Homogeneity

0.2340

Related Tasks

Related computation task IDs (5)

aaadmmbc aaadsves aaaeutqe aaaeyqyi aaafjgsa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-7576

Reference Citation

The crystal structure and related material properties of CrSi were obtained from the Materials Project database (MP-ID: mp-7576, 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…

Style: Ball & Stick | Drag to rotate · Scroll to zoom · Right-click to pan

Raw CIF Data

# generated using pymatgen
data_CrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59952600
_cell_length_b   4.59952600
_cell_length_c   4.59952600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi
_chemical_formula_sum   'Cr4 Si4'
_cell_volume   97.30591358
_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
  Cr  Cr0  1  0.86210900  0.63789100  0.36210900  1.0
  Cr  Cr1  1  0.63789100  0.36210900  0.86210900  1.0
  Cr  Cr2  1  0.36210900  0.86210900  0.63789100  1.0
  Cr  Cr3  1  0.13789100  0.13789100  0.13789100  1.0
  Si  Si4  1  0.15281500  0.34718500  0.65281500  1.0
  Si  Si5  1  0.34718500  0.65281500  0.15281500  1.0
  Si  Si6  1  0.65281500  0.15281500  0.34718500  1.0
  Si  Si7  1  0.84718500  0.84718500  0.84718500  1.0

Get direct link