MgZn2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-1124 · Space group: P6_3/mmc (#194)

Materials Project API

Basic Information

Formula

MgZn2

MP-ID

mp-1124

Elements

Sites

Density

5.3434

g/cm³

Volume

192.83

Å³

Cell a

5.1568

Cell b

5.1568

Cell c

8.3729

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P6_3/mmc

Point Group

6/mmm

Crystal System

Hexagonal

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
19.88	4.4659	48.9	(1,-1,0,0)
19.88	4.4659	24.4	(1,0,-1,0)
21.22	4.1864	40.5	(0,0,0,2)
22.56	3.9405	28.2	(1,-1,0,1)
22.56	3.9405	14.1	(1,0,-1,1)
29.24	3.0543	4.9	(1,0,-1,2)
34.79	2.5784	2.8	(1,-2,1,0)
34.79	2.5784	5.5	(2,-1,-1,0)
38.02	2.3668	54.1	(1,0,-1,3)
40.39	2.2330	5.1	(2,-2,0,0)
40.39	2.2330	2.5	(2,0,-2,0)
41.12	2.1954	82.6	(2,-1,-1,2)
41.12	2.1954	41.3	(1,1,-2,2)
41.87	2.1576	100.0	(2,-2,0,1)
41.87	2.1576	50.0	(2,0,-2,1)
43.22	2.0932	45.6	(0,0,0,4)
46.07	1.9702	47.2	(2,-2,0,2)
46.07	1.9702	23.6	(2,0,-2,2)
48.00	1.8954	16.9	(1,-1,0,4)
48.00	1.8954	8.5	(1,0,-1,4)
52.48	1.7436	25.5	(2,-2,0,3)
52.48	1.7436	12.8	(2,0,-2,3)
54.35	1.6880	4.5	(2,-3,1,0)
54.35	1.6880	4.5	(3,-2,-1,0)

Get direct link

Energy Properties

Formation Energy/atom

-0.13063

eV/atom

Energy/atom

-1.51395

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-7.4782

eV/atom

Volume/atom

16.07

Å³

c/a Ratio

1.6237

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

63.270

GPa

G_VRH

43.383

GPa

Young's Modulus E

105.936

GPa

Poisson Ratio ν

0.221

Pugh Ratio K/G

1.458

Vickers Hardness Est.

8.671

GPa

Ductility

Ductile

Anisotropy

0.465

Lame λ

34.348

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.667

Element Family

N/A

Solute Fraction

0.333

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.913

Family

Zn-based Alloy

Matrix Element

Zn · 0.667

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.4650

Homogeneous Poisson ν

0.2210

Debye Temperature

371.9

Sound Velocity

3,152.9

m/s

Homogeneity

0.2210

Related Tasks

Related computation task IDs (3)

aaacalds aaadssaw aaaelayb

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1124

Reference Citation

The crystal structure and related material properties of MgZn2 were obtained from the Materials Project database (MP-ID: mp-1124, 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_MgZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15681108
_cell_length_b   5.15681232
_cell_length_c   8.37285602
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001141
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn2
_chemical_formula_sum   'Mg4 Zn8'
_cell_volume   192.82651495
_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
  Mg  Mg0  1  0.33333300  0.66666700  0.06223443  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.56223443  1.0
  Mg  Mg2  1  0.66666700  0.33333300  0.93776557  1.0
  Mg  Mg3  1  0.33333300  0.66666700  0.43776557  1.0
  Zn  Zn4  1  0.00000000  0.00000000  0.00000000  1.0
  Zn  Zn5  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn6  1  0.16977898  0.33955996  0.75000000  1.0
  Zn  Zn7  1  0.83022102  0.16977898  0.25000000  1.0
  Zn  Zn8  1  0.33955996  0.16977898  0.25000000  1.0
  Zn  Zn9  1  0.66044004  0.83022102  0.75000000  1.0
  Zn  Zn10  1  0.16977898  0.83022102  0.75000000  1.0
  Zn  Zn11  1  0.83022102  0.66044004  0.25000000  1.0

Get direct link