Mg3Ru2

Traditional Materials TRA Elasticity Data ELA

MP-ID: mp-625 · Space group: P4_132 (#213)

Materials Project API

Basic Information

Formula

Mg3Ru2

MP-ID

mp-625

Elements

Sites

Density

5.5484

g/cm³

Volume

329.27

Å³

Cell a

6.9054

Cell b

6.9054

Cell c

6.9054

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

P4_132

Point Group

432

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
18.17	4.8828	95.7	(1,1,0)
22.30	3.9868	39.0	(1,1,1)
28.91	3.0882	3.9	(2,1,0)
31.74	2.8191	25.6	(2,1,1)
36.81	2.4414	9.1	(2,2,0)
39.14	2.3018	100.0	(2,2,1)
41.35	2.1837	66.2	(3,1,0)
43.46	2.0820	18.9	(3,1,1)
45.50	1.9934	9.2	(2,2,2)
47.47	1.9152	19.4	(3,2,0)
49.38	1.8455	41.6	(3,2,1)
53.05	1.7263	2.5	(4,0,0)
54.81	1.6748	29.2	(4,1,0)
58.24	1.5842	6.5	(3,3,1)
59.90	1.5441	1.5	(4,2,0)
67.86	1.3811	2.5	(5,0,0)
69.40	1.3543	31.8	(5,1,0)
70.92	1.3289	16.9	(5,1,1)
73.91	1.2823	31.6	(5,2,0)
75.39	1.2607	4.8	(5,2,1)
79.78	1.2021	2.3	(5,2,2)
81.23	1.1843	4.3	(5,3,0)
82.67	1.1672	2.4	(5,3,1)
84.11	1.1509	16.9	(4,4,2)

Get direct link

Energy Properties

Formation Energy/atom

-0.12517

eV/atom

Energy/atom

-4.81321

eV/atom

Energy above Hull

0.0000

eV/atom

Uncorrected Energy

-12.8083

eV/atom

Volume/atom

16.46

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

105.762

GPa

G_VRH

52.226

GPa

Young's Modulus E

134.533

GPa

Poisson Ratio ν

0.288

Pugh Ratio K/G

2.025

Vickers Hardness Est.

5.860

GPa

Ductility

Brittle

Anisotropy

0.292

Lame λ

70.945

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.600

Element Family

N/A

Solute Fraction

0.400

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.832

Family

Mg-based Alloy

Matrix Element

Mg · 0.600

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

0.2920

Homogeneous Poisson ν

0.2880

Debye Temperature

400.3

Sound Velocity

3,421.7

m/s

Homogeneity

0.2880

Related Tasks

Related computation task IDs (3)

aaacaljb aaadraju aaaeliix

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-625

Reference Citation

The crystal structure and related material properties of Mg3Ru2 were obtained from the Materials Project database (MP-ID: mp-625, 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_Mg3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90535348
_cell_length_b   6.90535348
_cell_length_c   6.90535348
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Ru2
_chemical_formula_sum   'Mg12 Ru8'
_cell_volume   329.27423096
_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  0.62500000  0.29392738  0.54392738  1.0
  Mg  Mg1  1  0.70607262  0.04392738  0.87500000  1.0
  Mg  Mg2  1  0.54392738  0.62500000  0.29392738  1.0
  Mg  Mg3  1  0.95607262  0.37500000  0.79392738  1.0
  Mg  Mg4  1  0.29392738  0.54392738  0.62500000  1.0
  Mg  Mg5  1  0.45607262  0.12500000  0.20607262  1.0
  Mg  Mg6  1  0.04392738  0.87500000  0.70607262  1.0
  Mg  Mg7  1  0.79392738  0.95607262  0.37500000  1.0
  Mg  Mg8  1  0.12500000  0.20607262  0.45607262  1.0
  Mg  Mg9  1  0.37500000  0.79392738  0.95607262  1.0
  Mg  Mg10  1  0.87500000  0.70607262  0.04392738  1.0
  Mg  Mg11  1  0.20607262  0.45607262  0.12500000  1.0
  Ru  Ru12  1  0.67504170  0.67504170  0.67504170  1.0
  Ru  Ru13  1  0.92504170  0.57495830  0.42504170  1.0
  Ru  Ru14  1  0.57495830  0.42504170  0.92504170  1.0
  Ru  Ru15  1  0.42504170  0.92504170  0.57495830  1.0
  Ru  Ru16  1  0.17504170  0.82495830  0.32495830  1.0
  Ru  Ru17  1  0.82495830  0.32495830  0.17504170  1.0
  Ru  Ru18  1  0.32495830  0.17504170  0.82495830  1.0
  Ru  Ru19  1  0.07495830  0.07495830  0.07495830  1.0

Get direct link