Mg15Zn

传统材料 TRA

MP-ID: mp-1023616 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15Zn

MP-ID

mp-1023616

Elements

Sites

Density

2.0534

g/cm³

Volume

347.72

Å³

Cell a

6.3059

Cell b

6.3059

Cell c

10.0972

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
8.76	10.0972	8.2	(0,0,0,1)
16.23	5.4611	5.5	(1,0,-1,0)
17.57	5.0486	1.5	(0,0,0,2)
18.47	4.8035	8.2	(1,0,-1,1)
24.01	3.7072	2.6	(1,0,-1,2)
24.01	3.7072	1.3	(1,-1,0,2)
28.31	3.1530	1.4	(2,-1,-1,0)
29.68	3.0097	1.5	(2,-1,-1,1)
31.22	2.8653	1.2	(1,0,-1,3)
32.80	2.7306	24.9	(2,0,-2,0)
33.51	2.6743	1.8	(2,-1,-1,2)
34.01	2.6359	1.5	(2,0,-2,1)
35.56	2.5243	25.4	(0,0,0,4)
37.44	2.4018	100.0	(2,0,-2,2)
39.15	2.3010	1.7	(2,-1,-1,3)
39.32	2.2914	1.2	(1,0,-1,4)
44.82	2.0223	1.7	(3,-1,-2,1)
47.59	1.9106	1.0	(3,-1,-2,2)
49.15	1.8536	10.1	(2,0,-2,4)
49.15	1.8536	5.1	(2,-2,0,4)
58.55	1.5765	5.7	(2,2,-4,0)
58.55	1.5765	11.4	(4,-2,-2,0)
65.11	1.4326	17.9	(2,0,-2,6)
68.76	1.3653	1.7	(4,0,-4,0)

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Energy Properties

Formation Energy/atom

0.03265

eV/atom

Energy/atom

-1.57465

eV/atom

Energy above Hull

0.0459

eV/atom

Uncorrected Energy

-4.4546

eV/atom

Volume/atom

21.73

Å³

c/a Ratio

1.6012

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

0.855

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (1)

aaaemmnw

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023616

Reference Citation

The crystal structure and related material properties of Mg15Zn were obtained from the Materials Project database (MP-ID: mp-1023616, 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_Mg15Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30594217
_cell_length_b   6.30594217
_cell_length_c   10.09716830
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999231
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15Zn
_chemical_formula_sum   'Mg15 Zn1'
_cell_volume   347.72044551
_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  0.50000000  1.0
  Mg  Mg1  1  0.49872666  0.99745332  0.00000000  1.0
  Mg  Mg2  1  0.50091661  0.00183422  0.50000000  1.0
  Mg  Mg3  1  0.49872666  0.50127334  0.00000000  1.0
  Mg  Mg4  1  0.50091661  0.49908339  0.50000000  1.0
  Mg  Mg5  1  0.00254668  0.50127334  0.00000000  1.0
  Mg  Mg6  1  0.99816578  0.49908339  0.50000000  1.0
  Mg  Mg7  1  0.33047142  0.16523521  0.24302542  1.0
  Mg  Mg8  1  0.33047142  0.16523521  0.75697458  1.0
  Mg  Mg9  1  0.83476479  0.16523521  0.24302542  1.0
  Mg  Mg10  1  0.83476479  0.16523521  0.75697458  1.0
  Mg  Mg11  1  0.83476479  0.66952858  0.24302542  1.0
  Mg  Mg12  1  0.83476479  0.66952858  0.75697458  1.0
  Mg  Mg13  1  0.33333300  0.66666700  0.25223784  1.0
  Mg  Mg14  1  0.33333300  0.66666700  0.74776216  1.0
  Zn  Zn15  1  0.00000000  -0.00000000  0.00000000  1.0

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