CeZn

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-986 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

CeZn

MP-ID

mp-986

Elements

Sites

Density

7.1534

g/cm³

Volume

47.71

Å³

Cell a

3.6269

Cell b

3.6269

Cell c

3.6269

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3m

Point Group

m-3m

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 10)

2θ	d (Å)	I	hkl
24.54	3.6269	12.8	(1,0,0)
34.99	2.5646	100.0	(1,1,0)
43.20	2.0940	3.8	(1,1,1)
50.32	1.8134	17.6	(2,0,0)
56.76	1.6220	5.4	(2,1,0)
62.75	1.4807	35.6	(2,1,1)
73.91	1.2823	10.9	(2,2,0)
79.24	1.2090	2.7	(2,2,1)
84.47	1.1469	15.3	(3,1,0)
89.65	1.0936	1.7	(3,1,1)

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Energy Properties

Formation Energy/atom

-0.19160

eV/atom

Energy/atom

-3.78994

eV/atom

Energy above Hull

0.0293

eV/atom

Uncorrected Energy

-20.0604

eV/atom

Volume/atom

23.85

Å³

c/a Ratio

1.0000

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.3935

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.008250

μB/Å³

Elastic Properties

K_VRH

35.292

GPa

G_VRH

21.920

GPa

Young's Modulus E

54.481

GPa

Poisson Ratio ν

0.243

Pugh Ratio K/G

1.610

Vickers Hardness Est.

3.973

GPa

Ductility

Ductile

Anisotropy

7.056

Lame λ

20.679

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ce · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.605

Family

Binary Alloy

Matrix Element

Ce · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

7.0560

Homogeneous Poisson ν

0.2430

Debye Temperature

200.8

Sound Velocity

1,941.7

m/s

Homogeneity

0.2430

Related Tasks

Related computation task IDs (5)

aaadmvqt aaadsaxb aaaekvxn aaaeunfs aaafihvs

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-986

Reference Citation

The crystal structure and related material properties of CeZn were obtained from the Materials Project database (MP-ID: mp-986, 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_CeZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62688516
_cell_length_b   3.62688516
_cell_length_c   3.62688516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeZn
_chemical_formula_sum   'Ce1 Zn1'
_cell_volume   47.70912082
_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
  Ce  Ce0  1  0.00000000  -0.00000000  0.00000000  1.0
  Zn  Zn1  1  0.50000000  0.50000000  0.50000000  1.0

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