Mg15Ga

传统材料 TRA

MP-ID: mp-1023503 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15Ga

MP-ID

mp-1023503

Elements

Sites

Density

2.0548

g/cm³

Volume

350.97

Å³

Cell a

6.3069

Cell b

6.3069

Cell c

10.1884

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
8.68	10.1884	12.8	(0,0,0,1)
16.23	5.4619	8.5	(1,0,-1,0)
17.41	5.0942	2.4	(0,0,0,2)
18.43	4.8138	12.9	(1,0,-1,1)
23.89	3.7254	6.5	(1,0,-1,2)
28.30	3.1535	1.5	(2,-1,-1,0)
29.66	3.0125	2.5	(2,-1,-1,1)
29.66	3.0125	1.2	(1,1,-2,1)
31.01	2.8841	3.2	(1,0,-1,3)
32.79	2.7310	37.1	(2,0,-2,0)
33.42	2.6813	2.9	(2,-1,-1,2)
33.99	2.6379	1.7	(2,0,-2,1)
35.24	2.5471	39.0	(0,0,0,4)
37.36	2.4069	50.0	(2,-2,0,2)
37.36	2.4069	100.0	(2,0,-2,2)
38.98	2.3109	2.4	(2,-1,-1,3)
39.02	2.3084	2.0	(1,0,-1,4)
42.48	2.1282	2.1	(2,0,-2,3)
44.79	2.0233	2.7	(3,-1,-2,1)
45.79	1.9815	1.2	(2,-1,-1,4)
47.52	1.9133	2.3	(3,-1,-2,2)
47.63	1.9092	1.3	(1,0,-1,5)
48.90	1.8627	23.1	(2,0,-2,4)
51.83	1.7641	1.5	(3,-1,-2,3)

Get direct link

Energy Properties

Formation Energy/atom

0.01790

eV/atom

Energy/atom

-1.69993

eV/atom

Energy above Hull

0.0413

eV/atom

Uncorrected Energy

-4.6298

eV/atom

Volume/atom

21.94

Å³

c/a Ratio

1.6154

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

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.938

Element Family

N/A

Solute Fraction

0.063

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.813

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (2)

aaacggnu aaaelxpk

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023503

Reference Citation

The crystal structure and related material properties of Mg15Ga were obtained from the Materials Project database (MP-ID: mp-1023503, 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_Mg15Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30689954
_cell_length_b   6.30689954
_cell_length_c   10.18844223
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000772
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Ga
_chemical_formula_sum   'Mg15 Ga1'
_cell_volume   350.97017429
_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  0.83257680  0.66515359  0.00000000  1.0
  Mg  Mg2  1  0.83388820  0.66777539  0.50000000  1.0
  Mg  Mg3  1  0.83257680  0.16742320  0.00000000  1.0
  Mg  Mg4  1  0.83388820  0.16611180  0.50000000  1.0
  Mg  Mg5  1  0.33484641  0.16742320  -0.00000000  1.0
  Mg  Mg6  1  0.33222461  0.16611180  0.50000000  1.0
  Mg  Mg7  1  0.66503560  0.83251830  0.24467581  1.0
  Mg  Mg8  1  0.66503560  0.83251830  0.75532419  1.0
  Mg  Mg9  1  0.16748170  0.83251830  0.24467581  1.0
  Mg  Mg10  1  0.16748170  0.83251830  0.75532419  1.0
  Mg  Mg11  1  0.16748170  0.33496440  0.24467581  1.0
  Mg  Mg12  1  0.16748170  0.33496440  0.75532419  1.0
  Mg  Mg13  1  0.66666700  0.33333300  0.25041205  1.0
  Mg  Mg14  1  0.66666700  0.33333300  0.74958795  1.0
  Ga  Ga15  1  0.33333300  0.66666700  -0.00000000  1.0

Get direct link