Mg(AlC)2

Elasticity Data ELA

MP-ID: mp-9514 · Space group: P-3m1 (#164)

Materials Project API

Basic Information

Formula

Mg(AlC)2

MP-ID

mp-9514

Elements

Sites

Density

2.9294

g/cm³

Volume

57.98

Å³

Cell a

3.3907

Cell b

3.3907

Cell c

5.8237

α Angle

90.00

β Angle

90.00

γ Angle

120.00

Space Group

P-3m1

Point Group

-3m

Crystal System

Trigonal

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 16)

2θ	d (Å)	I	hkl
15.21	5.8237	6.0	(0,0,0,1)
30.44	2.9364	4.9	(1,0,-1,0)
30.70	2.9119	1.6	(0,0,0,2)
34.20	2.6220	100.0	(1,0,-1,1)
43.78	2.0676	25.7	(1,-1,0,2)
43.78	2.0676	51.3	(1,0,-1,2)
46.80	1.9412	21.1	(0,0,0,3)
54.10	1.6953	54.5	(2,-1,-1,0)
56.86	1.6194	8.0	(1,0,-1,3)
65.57	1.4237	15.3	(2,0,-2,1)
72.04	1.3110	5.5	(2,-2,0,2)
72.04	1.3110	11.0	(2,0,-2,2)
72.46	1.3044	9.8	(1,0,-1,4)
74.28	1.2769	20.1	(2,-1,-1,3)
74.28	1.2769	10.0	(1,1,-2,3)
82.35	1.1710	2.5	(2,0,-2,3)

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Energy Properties

Formation Energy/atom

-0.05501

eV/atom

Energy/atom

-5.57173

eV/atom

Energy above Hull

0.0082

eV/atom

Uncorrected Energy

-5.5717

eV/atom

Volume/atom

11.60

Å³

c/a Ratio

1.7176

Electronic Properties

Metallic

Non-metal

Band Gap

1.746

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0000

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

K_VRH

132.844

GPa

G_VRH

91.296

GPa

Young's Modulus E

222.840

GPa

Poisson Ratio ν

0.220

Pugh Ratio K/G

1.455

Vickers Hardness Est.

15.085

GPa

Ductility

Ductile

Anisotropy

1.794

Lame λ

71.980

GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Al · 0.400

Element Family

PostTransition-Noble

Solute Fraction

0.600

Interstitial Fraction

0.400

Elasticity Features

Elastic Modulus Comparison (GPa)

Elastic Features

Elastic Anisotropy A^U

1.7940

Homogeneous Poisson ν

0.2200

Debye Temperature

812.2

Sound Velocity

6,176.8

m/s

Homogeneity

0.2200

Related Tasks

Related computation task IDs (5)

aaabndkq aaaeneuh aaafalde aaafalqt aaafbweh

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-9514

Reference Citation

The crystal structure and related material properties of Mg(AlC)2 were obtained from the Materials Project database (MP-ID: mp-9514, 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_Mg(AlC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39064637
_cell_length_b   3.39064637
_cell_length_c   5.82371600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg(AlC)2
_chemical_formula_sum   'Mg1 Al2 C2'
_cell_volume   57.98234590
_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  0.00000000  1.0
  Al  Al1  1  0.33333300  0.66666700  0.64999100  1.0
  Al  Al2  1  0.66666700  0.33333300  0.35000900  1.0
  C  C3  1  0.66666700  0.33333300  0.72992000  1.0
  C  C4  1  0.33333300  0.66666700  0.27008000  1.0

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