Mg2Zn11

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-30784 · Space group: Pm-3 (#200)

Materials Project API

Basic Information

Formula

Mg2Zn11

MP-ID

mp-30784

Elements

Sites

Density

6.4290

g/cm³

Volume

595.19

Å³

Cell a

8.4117

Cell b

8.4117

Cell c

8.4117

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pm-3

Point Group

m-3

Crystal System

Cubic

Bravais Lattice

Stability

Yes

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 24)

2θ	d (Å)	I	hkl
14.89	5.9480	19.9	(1,1,0)
18.27	4.8565	4.8	(1,1,1)
21.12	4.2059	2.0	(2,0,0)
23.65	3.7618	18.8	(2,1,0)
25.95	3.4341	3.2	(2,1,1)
30.05	2.9740	1.6	(2,2,0)
31.92	2.8039	8.1	(2,2,1)
33.69	2.6600	1.1	(3,1,0)
35.39	2.5362	3.7	(3,1,1)
37.02	2.4283	21.7	(2,2,2)
38.59	2.3330	15.5	(3,2,0)
40.11	2.2481	51.9	(3,2,1)
43.01	2.1029	43.8	(4,0,0)
44.40	2.0401	100.0	(4,1,0)
45.76	1.9827	14.6	(4,1,1)
48.39	1.8809	14.7	(4,2,0)
49.67	1.8356	6.1	(4,2,1)
53.36	1.7170	1.1	(4,2,2)
54.55	1.6823	7.0	(4,3,0)
55.72	1.6497	3.9	(4,3,1)
59.15	1.5620	3.9	(4,3,2)
62.46	1.4870	5.2	(4,4,0)
63.54	1.4643	2.4	(4,4,1)
64.61	1.4426	1.8	(5,3,0)

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Energy Properties

Formation Energy/atom

-0.06245

eV/atom

Energy/atom

-1.37923

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-8.2574

eV/atom

Volume/atom

15.26

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

68.686

GPa

G_VRH

39.903

GPa

Young's Modulus E

100.288

GPa

Poisson Ratio ν

0.257

Pugh Ratio K/G

1.721

Vickers Hardness Est.

6.155

GPa

Ductility

Ductile

Anisotropy

0.157

Lame λ

42.084

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Zn · 0.846

Element Family

N/A

Solute Fraction

0.154

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.918

Family

Zn-based Alloy

Matrix Element

Zn · 0.846

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.1570

Homogeneous Poisson ν

0.2570

Debye Temperature

332.2

Sound Velocity

2,768.0

m/s

Homogeneity

0.2570

Related Tasks

Related computation task IDs (2)

aaacbplp aaaeltjv

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-30784

Reference Citation

The crystal structure and related material properties of Mg2Zn11 were obtained from the Materials Project database (MP-ID: mp-30784, 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_Mg2Zn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41170576
_cell_length_b   8.41170576
_cell_length_c   8.41170576
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn11
_chemical_formula_sum   'Mg6 Zn33'
_cell_volume   595.18532991
_cell_formula_units_Z   3
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  0.30220505  0.00000000  0.50000000  1.0
  Mg  Mg1  1  0.50000000  0.30220505  -0.00000000  1.0
  Mg  Mg2  1  0.00000000  0.50000000  0.30220505  1.0
  Mg  Mg3  1  0.50000000  0.69779495  -0.00000000  1.0
  Mg  Mg4  1  0.00000000  0.50000000  0.69779495  1.0
  Mg  Mg5  1  0.69779495  0.00000000  0.50000000  1.0
  Zn  Zn6  1  0.50000000  0.50000000  0.50000000  1.0
  Zn  Zn7  1  0.22974277  0.00000000  -0.00000000  1.0
  Zn  Zn8  1  0.00000000  0.22974277  -0.00000000  1.0
  Zn  Zn9  1  0.00000000  0.00000000  0.22974277  1.0
  Zn  Zn10  1  0.00000000  0.77025723  -0.00000000  1.0
  Zn  Zn11  1  0.00000000  0.00000000  0.77025723  1.0
  Zn  Zn12  1  0.77025723  0.00000000  -0.00000000  1.0
  Zn  Zn13  1  0.16089799  0.50000000  -0.00000000  1.0
  Zn  Zn14  1  0.00000000  0.16089799  0.50000000  1.0
  Zn  Zn15  1  0.50000000  0.00000000  0.16089799  1.0
  Zn  Zn16  1  0.00000000  0.83910201  0.50000000  1.0
  Zn  Zn17  1  0.50000000  0.00000000  0.83910201  1.0
  Zn  Zn18  1  0.83910201  0.50000000  -0.00000000  1.0
  Zn  Zn19  1  0.21834956  0.21834956  0.21834956  1.0
  Zn  Zn20  1  0.78165044  0.78165044  0.21834956  1.0
  Zn  Zn21  1  0.21834956  0.78165044  0.78165044  1.0
  Zn  Zn22  1  0.78165044  0.21834956  0.78165044  1.0
  Zn  Zn23  1  0.78165044  0.78165044  0.78165044  1.0
  Zn  Zn24  1  0.21834956  0.21834956  0.78165044  1.0
  Zn  Zn25  1  0.78165044  0.21834956  0.21834956  1.0
  Zn  Zn26  1  0.21834956  0.78165044  0.21834956  1.0
  Zn  Zn27  1  0.50000000  0.23619669  0.34237780  1.0
  Zn  Zn28  1  0.34237780  0.50000000  0.23619669  1.0
  Zn  Zn29  1  0.23619669  0.34237780  0.50000000  1.0
  Zn  Zn30  1  0.76380331  0.65762220  0.50000000  1.0
  Zn  Zn31  1  0.34237780  0.50000000  0.76380331  1.0
  Zn  Zn32  1  0.76380331  0.34237780  0.50000000  1.0
  Zn  Zn33  1  0.65762220  0.50000000  0.23619669  1.0
  Zn  Zn34  1  0.65762220  0.50000000  0.76380331  1.0
  Zn  Zn35  1  0.23619669  0.65762220  0.50000000  1.0
  Zn  Zn36  1  0.50000000  0.76380331  0.65762220  1.0
  Zn  Zn37  1  0.50000000  0.23619669  0.65762220  1.0
  Zn  Zn38  1  0.50000000  0.76380331  0.34237780  1.0

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