ZnCr3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-971752 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

ZnCr3

MP-ID

mp-971752

Elements

Sites

Density

7.0340

g/cm³

Volume

52.27

Å³

Cell a

4.1967

Cell b

4.1967

Cell c

4.1967

α Angle

60.00

β Angle

60.00

γ Angle

60.00

Space Group

Fm-3m

Point Group

m-3m

Crystal System

Cubic

Bravais Lattice

Stability

Packing Fraction

0.7405

X-ray Diffraction

Diffraction Pattern

Target / Radiation

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

Diffraction Peaks (Top 4)

2θ	d (Å)	I	hkl
26.00	3.4266	1.4	(1,1,1)
43.11	2.0984	100.0	(2,1,1)
62.61	1.4838	14.8	(2,2,0)
79.04	1.2115	28.2	(3,3,2)

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Energy Properties

Formation Energy/atom

0.23314

eV/atom

Energy/atom

-13.29952

eV/atom

Energy above Hull

0.2331

eV/atom

Uncorrected Energy

-7.3216

eV/atom

Volume/atom

13.07

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

3.5310

μB

Mag. Ordering

FiM

Mag. Sites

Magnetization/Volume

0.067560

μB/Å³

Elastic Properties

K_VRH

108.873

GPa

G_VRH

71.217

GPa

Young's Modulus E

175.405

GPa

Poisson Ratio ν

0.231

Pugh Ratio K/G

1.529

Vickers Hardness Est.

11.761

GPa

Ductility

Ductile

Anisotropy

0.342

Lame λ

61.395

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Cr · 0.750

Element Family

N/A

Solute Fraction

0.250

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.731

Family

Binary Alloy

Matrix Element

Cr · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.3420

Homogeneous Poisson ν

0.2310

Debye Temperature

445.5

Sound Velocity

3,525.0

m/s

Homogeneity

0.2310

Related Tasks

Related computation task IDs (5)

aaadcymv aaadnvef aaadwncn aaaetczx aaafsltk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-971752

Reference Citation

The crystal structure and related material properties of ZnCr3 were obtained from the Materials Project database (MP-ID: mp-971752, 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_ZnCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.19674097
_cell_length_b   4.19674097
_cell_length_c   4.19674097
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr3
_chemical_formula_sum   'Zn1 Cr3'
_cell_volume   52.26626868
_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
  Zn  Zn0  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.25000000  0.25000000  0.25000000  1.0
  Cr  Cr2  1  0.75000000  0.75000000  0.75000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.50000000  1.0

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