HfZn

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1014219 · Space group: Pm-3m (#221)

Materials Project API

Basic Information

Formula

HfZn

MP-ID

mp-1014219

Elements

Sites

Density

11.5288

g/cm³

Volume

35.13

Å³

Cell a

3.2751

Cell b

3.2751

Cell c

3.2751

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 8)

2θ	d (Å)	I	hkl
27.23	3.2751	22.4	(1,0,0)
38.89	2.3159	100.0	(1,1,0)
48.12	1.8909	6.6	(1,1,1)
56.17	1.6376	17.0	(2,0,0)
63.52	1.4647	9.1	(2,1,0)
70.42	1.3371	34.3	(2,1,1)
83.48	1.1579	10.9	(2,2,0)
89.85	1.0917	5.0	(3,0,0)

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Energy Properties

Formation Energy/atom

-0.23218

eV/atom

Energy/atom

-27.26319

eV/atom

Energy above Hull

0.0082

eV/atom

Uncorrected Energy

-27.2632

eV/atom

Volume/atom

17.56

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

115.663

GPa

G_VRH

47.206

GPa

Young's Modulus E

124.659

GPa

Poisson Ratio ν

0.320

Pugh Ratio K/G

2.450

Vickers Hardness Est.

3.683

GPa

Ductility

Brittle

Anisotropy

2.521

Lame λ

84.192

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Hf · 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

0.619

Family

Binary Alloy

Matrix Element

Hf · 0.500

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

2.5210

Homogeneous Poisson ν

0.3200

Debye Temperature

259.5

Sound Velocity

2,266.1

m/s

Homogeneity

0.3200

Related Tasks

Related computation task IDs (5)

aaadnpks aaadrhoa aaaeiler aaaetnqf aaafcnkx

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1014219

Reference Citation

The crystal structure and related material properties of HfZn were obtained from the Materials Project database (MP-ID: mp-1014219, 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

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Raw CIF Data

# generated using pymatgen
data_HfZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27510484
_cell_length_b   3.27510484
_cell_length_c   3.27510484
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn
_chemical_formula_sum   'Hf1 Zn1'
_cell_volume   35.12979541
_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
  Hf  Hf0  1  0.50000000  0.50000000  0.50000000  1.0
  Zn  Zn1  1  0.00000000  0.00000000  0.00000000  1.0

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