Mg15W

传统材料 TRA

MP-ID: mp-1023492 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg15W

MP-ID

mp-1023492

Elements

Sites

Density

2.6358

g/cm³

Volume

345.50

Å³

Cell a

6.2965

Cell b

6.2965

Cell c

10.0629

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
8.79	10.0629	51.7	(0,0,0,1)
16.26	5.4529	41.2	(1,0,-1,0)
17.63	5.0314	10.6	(0,0,0,2)
18.51	4.7943	57.9	(1,0,-1,1)
24.07	3.6978	27.9	(1,0,-1,2)
26.57	3.3543	2.8	(0,0,0,3)
28.35	3.1482	10.3	(2,-1,-1,0)
29.73	3.0046	17.2	(2,-1,-1,1)
31.31	2.8570	14.5	(1,0,-1,3)
32.85	2.7265	28.9	(2,0,-2,0)
33.58	2.6689	13.0	(2,-1,-1,2)
34.07	2.6316	12.1	(2,0,-2,1)
35.69	2.5157	24.7	(0,0,0,4)
37.52	2.3971	100.0	(2,0,-2,2)
39.25	2.2955	3.3	(1,1,-2,3)
39.25	2.2955	6.6	(2,-1,-1,3)
39.45	2.2843	9.3	(1,0,-1,4)
42.74	2.1157	8.1	(2,0,-2,3)
43.93	2.0610	5.3	(3,-1,-2,0)
44.89	2.0191	12.2	(3,-1,-2,1)
45.05	2.0126	1.6	(0,0,0,5)
46.19	1.9653	5.7	(2,-1,-1,4)
47.68	1.9072	11.9	(3,-1,-2,2)
48.20	1.8881	5.6	(1,0,-1,5)

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Energy Properties

Formation Energy/atom

0.14661

eV/atom

Energy/atom

-6.97260

eV/atom

Energy above Hull

0.1466

eV/atom

Uncorrected Energy

-2.1635

eV/atom

Volume/atom

21.59

Å³

c/a Ratio

1.5982

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0088

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000030

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

0.742

Family

Mg-based Alloy

Matrix Element

Mg · 0.938

Related Tasks

Related computation task IDs (2)

aaacggko aaacggoa

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1023492

Reference Citation

The crystal structure and related material properties of Mg15W were obtained from the Materials Project database (MP-ID: mp-1023492, 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_Mg15W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29648391
_cell_length_b   6.29648391
_cell_length_c   10.06285700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg15W
_chemical_formula_sum   'Mg15 W1'
_cell_volume   345.50006482
_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  0.00007900  0.50003900  0.00000000  1.0
  Mg  Mg2  1  0.00194900  0.50097500  0.50000000  1.0
  Mg  Mg3  1  0.49996100  0.50003900  0.00000000  1.0
  Mg  Mg4  1  0.49902500  0.50097500  0.50000000  1.0
  Mg  Mg5  1  0.49996100  0.99992100  0.00000000  1.0
  Mg  Mg6  1  0.49902500  0.99805100  0.50000000  1.0
  Mg  Mg7  1  0.16063500  0.32126900  0.75909800  1.0
  Mg  Mg8  1  0.16063500  0.32126900  0.24090200  1.0
  Mg  Mg9  1  0.16063500  0.83936500  0.75909800  1.0
  Mg  Mg10  1  0.16063500  0.83936500  0.24090200  1.0
  Mg  Mg11  1  0.67873100  0.83936500  0.75909800  1.0
  Mg  Mg12  1  0.67873100  0.83936500  0.24090200  1.0
  Mg  Mg13  1  0.66666700  0.33333300  0.74768800  1.0
  Mg  Mg14  1  0.66666700  0.33333300  0.25231200  1.0
  W  W15  1  0.00000000  0.00000000  0.00000000  1.0

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