MgZn

Traditional Materials TRA

MP-ID: mp-978268 · Space group: Pmma (#51)

Materials Project API

Basic Information

Formula

MgZn

MP-ID

mp-978268

Elements

Sites

Density

4.2988

g/cm³

Volume

69.31

Å³

Cell a

3.1275

Cell b

4.8397

Cell c

4.5791

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pmma

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

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
18.33	4.8397	11.4	(0,1,0)
26.80	3.3262	28.7	(0,1,1)
28.54	3.1275	16.0	(1,0,0)
34.13	2.6268	15.1	(1,1,0)
37.15	2.4198	15.8	(0,2,0)
39.35	2.2896	30.5	(0,0,2)
39.55	2.2785	100.0	(1,1,1)
42.24	2.1395	27.3	(0,2,1)
43.74	2.0696	2.5	(0,1,2)
47.51	1.9139	2.2	(1,2,0)
49.33	1.8474	6.9	(1,0,2)
51.77	1.7658	9.1	(1,2,1)
53.06	1.7259	8.2	(1,1,2)
55.23	1.6631	9.6	(0,2,2)
57.09	1.6132	2.4	(0,3,0)
59.08	1.5637	8.7	(2,0,0)
63.34	1.4684	1.7	(1,2,2)
63.96	1.4557	2.3	(0,1,3)
65.06	1.4337	11.4	(1,3,0)
66.02	1.4152	4.1	(2,1,1)
68.59	1.3682	2.0	(1,3,1)
71.49	1.3197	15.8	(1,1,3)
71.55	1.3188	2.3	(0,3,2)
71.89	1.3134	4.1	(2,2,0)

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Energy Properties

Formation Energy/atom

-0.07312

eV/atom

Energy/atom

-1.51823

eV/atom

Energy above Hull

0.0331

eV/atom

Uncorrected Energy

-6.6070

eV/atom

Volume/atom

17.33

Å³

c/a Ratio

1.4642

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

50.041

GPa

G_VRH

4.313

GPa

Young's Modulus E

12.578

GPa

Poisson Ratio ν

0.458

Pugh Ratio K/G

11.602

Vickers Hardness Est.

GPa

Ductility

Brittle

Anisotropy

-12.891

Lame λ

47.166

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 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

0.812

Family

Mg-based Alloy

Matrix Element

Mg · 0.500

Related Tasks

Related computation task IDs (2)

aaacfnnw aaaekvtt

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-978268

Reference Citation

The crystal structure and related material properties of MgZn were obtained from the Materials Project database (MP-ID: mp-978268, 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_MgZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12748688
_cell_length_b   4.83965900
_cell_length_c   4.57911012
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn
_chemical_formula_sum   'Mg2 Zn2'
_cell_volume   69.30927352
_cell_formula_units_Z   2
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  0.49999800  0.53000553  -0.00000000  1.0
  Mg  Mg1  1  0.49999800  0.13666247  0.49999800  1.0
  Zn  Zn2  1  0.00000000  0.01153358  -0.00000000  1.0
  Zn  Zn3  1  0.00000000  0.65513242  0.49999800  1.0

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