MgZn

传统材料 TRA

MP-ID: mp-1094782 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

MgZn

MP-ID

mp-1094782

Elements

Sites

Density

4.0321

g/cm³

Volume

36.95

Å³

Cell a

3.0637

Cell b

3.0637

Cell c

4.5452

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-6m2

Point Group

-6m2

Crystal System

Hexagonal

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 15)

2θ	d (Å)	I	hkl
19.53	4.5452	26.7	(0,0,0,1)
33.78	2.6533	39.5	(1,0,-1,0)
39.32	2.2914	100.0	(1,0,-1,1)
39.66	2.2726	20.2	(0,0,0,2)
53.06	1.7260	20.9	(1,0,-1,2)
60.43	1.5319	16.5	(2,-1,-1,0)
61.17	1.5151	1.2	(0,0,0,3)
64.16	1.4516	6.0	(2,-1,-1,1)
71.06	1.3266	4.1	(2,0,-2,0)
71.74	1.3157	15.4	(1,0,-1,3)
74.51	1.2735	13.7	(2,0,-2,1)
74.73	1.2702	11.2	(2,-1,-1,2)
74.73	1.2702	5.6	(1,1,-2,2)
84.58	1.1457	5.0	(2,0,-2,2)
85.45	1.1363	1.9	(0,0,0,4)

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Energy Properties

Formation Energy/atom

0.00222

eV/atom

Energy/atom

-1.44289

eV/atom

Energy above Hull

0.1085

eV/atom

Uncorrected Energy

-1.4429

eV/atom

Volume/atom

18.47

Å³

c/a Ratio

1.4836

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0016

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000040

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.500

Element Family

N/A

Solute Fraction

0.500

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.762

Family

Mg-based Alloy

Matrix Element

Mg · 0.500

Related Tasks

Related computation task IDs (2)

aaadrirn aaadxxwu

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1094782

Reference Citation

The crystal structure and related material properties of MgZn were obtained from the Materials Project database (MP-ID: mp-1094782, 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_MgZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06370804
_cell_length_b   3.06370804
_cell_length_c   4.54516400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000079
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZn
_chemical_formula_sum   'Mg1 Zn1'
_cell_volume   36.94663907
_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
  Mg  Mg0  1  0.00000000  0.00000000  0.50000000  1.0
  Zn  Zn1  1  0.66666700  0.33333300  0.00000000  1.0

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