Mg15Cu

Traditional Materials TRA

MP-ID: mp-1023610 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15Cu

MP-ID

mp-1023610

Elements

Sites

Density

2.0761

g/cm³

Volume

342.43

Å³

Cell a

6.2875

Cell b

6.2875

Cell c

10.0018

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 24)

2θ	d (Å)	I	hkl
8.84	10.0018	12.2	(0,0,0,1)
16.28	5.4452	5.9	(1,0,-1,0)
16.28	5.4452	2.9	(1,-1,0,0)
17.74	5.0009	2.1	(0,0,0,2)
18.55	4.7824	11.8	(1,0,-1,1)
24.16	3.6832	4.7	(1,0,-1,2)
28.39	3.1438	2.0	(2,-1,-1,0)
29.79	2.9991	2.9	(2,-1,-1,1)
31.46	2.8433	2.4	(1,0,-1,3)
32.90	2.7226	37.5	(2,0,-2,0)
33.67	2.6616	1.6	(2,-1,-1,2)
34.13	2.6270	2.1	(2,0,-2,1)
35.92	2.5005	37.5	(0,0,0,4)
37.62	2.3912	100.0	(2,0,-2,2)
37.62	2.3912	50.0	(2,-2,0,2)
39.39	2.2873	1.7	(2,-1,-1,3)
39.66	2.2723	1.9	(1,0,-1,4)
42.89	2.1088	2.3	(2,0,-2,3)
44.97	2.0159	2.4	(3,-1,-2,1)
46.40	1.9569	1.1	(2,-1,-1,4)
47.79	1.9032	2.7	(3,-1,-2,2)
48.48	1.8777	1.4	(1,0,-1,5)
49.49	1.8416	14.9	(2,0,-2,4)
49.49	1.8416	7.5	(2,-2,0,4)

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Energy Properties

Formation Energy/atom

0.03547

eV/atom

Energy/atom

-4.55118

eV/atom

Energy above Hull

0.0519

eV/atom

Uncorrected Energy

-4.5512

eV/atom

Volume/atom

21.40

Å³

c/a Ratio

1.5907

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

0.0002

μB

Mag. Ordering

Unknown

Mag. Sites

Magnetization/Volume

0.000000

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.806

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (1)

aaaemugg

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023610

Reference Citation

The crystal structure and related material properties of Mg15Cu were obtained from the Materials Project database (MP-ID: mp-1023610, 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_Mg15Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28754120
_cell_length_b   6.28754120
_cell_length_c   10.00180052
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Cu
_chemical_formula_sum   'Mg15 Cu1'
_cell_volume   342.42900333
_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  0.33333300  0.66666700  0.50000000  1.0
  Mg  Mg1  1  0.83142158  0.66284215  -0.00000000  1.0
  Mg  Mg2  1  0.83468894  0.66937887  0.50000000  1.0
  Mg  Mg3  1  0.83142158  0.16857842  0.00000000  1.0
  Mg  Mg4  1  0.83468894  0.16531106  0.50000000  1.0
  Mg  Mg5  1  0.33715785  0.16857842  -0.00000000  1.0
  Mg  Mg6  1  0.33062113  0.16531106  0.50000000  1.0
  Mg  Mg7  1  0.65824761  0.82912381  0.24082572  1.0
  Mg  Mg8  1  0.65824761  0.82912381  0.75917428  1.0
  Mg  Mg9  1  0.17087619  0.82912381  0.24082572  1.0
  Mg  Mg10  1  0.17087619  0.82912381  0.75917428  1.0
  Mg  Mg11  1  0.17087619  0.34175239  0.24082572  1.0
  Mg  Mg12  1  0.17087619  0.34175239  0.75917428  1.0
  Mg  Mg13  1  0.66666700  0.33333300  0.25290773  1.0
  Mg  Mg14  1  0.66666700  0.33333300  0.74709227  1.0
  Cu  Cu15  1  0.33333300  0.66666700  0.00000000  1.0

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