ZnCo3

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-971744 · Space group: Fm-3m (#225)

Materials Project API

Basic Information

Formula

ZnCo3

MP-ID

mp-971744

Elements

Sites

Density

8.7364

g/cm³

Volume

46.04

Å³

Cell a

4.0229

Cell b

4.0229

Cell c

4.0229

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 3)

2θ	d (Å)	I	hkl
45.07	2.0115	100.0	(2,1,1)
65.64	1.4223	14.9	(2,2,0)
83.19	1.1613	29.2	(3,3,2)

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Energy Properties

Formation Energy/atom

0.05910

eV/atom

Energy/atom

-12.09423

eV/atom

Energy above Hull

0.0757

eV/atom

Uncorrected Energy

-5.5996

eV/atom

Volume/atom

11.51

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

4.2637

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.092610

μB/Å³

Elastic Properties

K_VRH

183.266

GPa

G_VRH

51.410

GPa

Young's Modulus E

141.042

GPa

Poisson Ratio ν

0.372

Pugh Ratio K/G

3.565

Vickers Hardness Est.

1.530

GPa

Ductility

Brittle

Anisotropy

6.885

Lame λ

148.993

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Co · 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

0.836

Family

Co-based Alloy

Matrix Element

Co · 0.750

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

6.8850

Homogeneous Poisson ν

0.3720

Debye Temperature

360.6

Sound Velocity

2,735.4

m/s

Homogeneity

0.3720

Related Tasks

Related computation task IDs (5)

aaadntmh aaadwocu aaadxnfc aaaerywp aaafcmuu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-971744

Reference Citation

The crystal structure and related material properties of ZnCo3 were obtained from the Materials Project database (MP-ID: mp-971744, 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_ZnCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02291291
_cell_length_b   4.02291291
_cell_length_c   4.02291291
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo3
_chemical_formula_sum   'Zn1 Co3'
_cell_volume   46.03698730
_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
  Co  Co1  1  0.25000000  0.25000000  0.25000000  1.0
  Co  Co2  1  0.75000000  0.75000000  0.75000000  1.0
  Co  Co3  1  0.50000000  0.50000000  0.50000000  1.0

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