Mg7W

传统材料 TRA

MP-ID: mp-1016269 · Space group: P-6m2 (#187)

Materials Project API

Basic Information

Formula

Mg7W

MP-ID

mp-1016269

Elements

Sites

Density

3.5695

g/cm³

Volume

164.67

Å³

Cell a

6.2018

Cell b

6.2018

Cell c

4.9437

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
16.51	5.3709	100.0	(1,0,-1,0)
17.94	4.9437	25.5	(0,0,0,1)
24.47	3.6374	68.7	(1,0,-1,1)
28.79	3.1009	25.2	(2,-1,-1,0)
33.37	2.6855	36.2	(2,0,-2,0)
34.13	2.6269	10.6	(1,1,-2,1)
34.13	2.6269	21.2	(2,-1,-1,1)
36.34	2.4719	24.6	(0,0,0,2)
38.14	2.3598	68.1	(2,0,-2,1)
38.14	2.3598	34.1	(2,-2,0,1)
40.16	2.2455	22.4	(1,0,-1,2)
44.64	2.0300	13.3	(3,-1,-2,0)
47.01	1.9329	13.6	(2,-1,-1,2)
48.48	1.8779	28.3	(3,-1,-2,1)
50.16	1.8187	22.9	(2,0,-2,2)
51.01	1.7903	5.3	(3,0,-3,0)
54.51	1.6833	8.9	(3,0,-3,1)
55.79	1.6479	1.4	(0,0,0,3)
58.59	1.5754	6.5	(1,0,-1,3)
58.87	1.5688	12.0	(3,-1,-2,2)
59.63	1.5504	5.6	(2,2,-4,0)
59.63	1.5504	11.2	(4,-2,-2,0)
62.33	1.4896	6.1	(4,-1,-3,0)
62.81	1.4794	6.0	(4,-2,-2,1)

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Energy Properties

Formation Energy/atom

0.28898

eV/atom

Energy/atom

-9.78013

eV/atom

Energy above Hull

0.2890

eV/atom

Uncorrected Energy

-2.7310

eV/atom

Volume/atom

20.58

Å³

c/a Ratio

0.7972

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0034

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.000020

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

N/A

Solute Fraction

0.125

Interstitial Fraction

0.000

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.670

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (2)

aaacfvob aaacfvsr

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1016269

Reference Citation

The crystal structure and related material properties of Mg7W were obtained from the Materials Project database (MP-ID: mp-1016269, 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_Mg7W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.20177774
_cell_length_b   6.20177774
_cell_length_c   4.94372600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7W
_chemical_formula_sum   'Mg7 W1'
_cell_volume   164.67111737
_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  0.16550000  0.33099900  0.50000000  1.0
  Mg  Mg1  1  0.66900100  0.83450000  0.50000000  1.0
  Mg  Mg2  1  0.16550000  0.83450000  0.50000000  1.0
  Mg  Mg3  1  0.82291500  0.17708500  0.00000000  1.0
  Mg  Mg4  1  0.35417000  0.17708500  0.00000000  1.0
  Mg  Mg5  1  0.82291500  0.64583000  0.00000000  1.0
  Mg  Mg6  1  0.33333300  0.66666700  0.00000000  1.0
  W  W7  1  0.66666700  0.33333300  0.50000000  1.0

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