Mg4Si7

传统材料 TRA

MP-ID: mp-1074228 · Space group: P-1 (#2)

Materials Project API

Basic Information

Formula

Mg4Si7

MP-ID

mp-1074228

Elements

Sites

Density

2.3547

g/cm³

Volume

414.40

Å³

Cell a

4.2407

Cell b

6.7591

Cell c

14.7933

α Angle

81.41

β Angle

81.78

γ Angle

85.88

Space Group

P-1

Point Group

-1

Crystal System

Triclinic

Bravais Lattice

Stability

Packing Fraction

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
13.27	6.6743	44.1	(0,1,0)
13.80	6.4157	6.9	(0,1,1)
18.36	4.8317	2.8	(0,0,3)
21.20	4.1915	1.6	(1,0,0)
21.26	4.1789	14.5	(1,0,1)
22.86	3.8898	7.3	(1,0,-1)
23.04	3.8597	1.3	(1,0,2)
24.06	3.6984	16.0	(1,1,1)
24.21	3.6755	2.4	(0,1,-3)
24.57	3.6238	1.2	(0,0,4)
25.20	3.5342	8.3	(1,1,2)
25.67	3.4699	2.2	(1,-1,0)
26.18	3.4037	11.7	(1,-1,1)
26.28	3.3913	1.4	(0,1,4)
26.40	3.3755	20.6	(1,1,-1)
26.55	3.3572	3.7	(0,2,1)
26.64	3.3460	8.8	(1,-1,-1)
28.09	3.1767	3.9	(1,-1,2)
28.27	3.1563	11.0	(0,2,-1)
29.54	3.0238	46.3	(1,1,-2)
29.66	3.0117	14.3	(0,1,-4)
30.04	2.9749	21.9	(1,0,-3)
30.33	2.9469	15.8	(0,2,3)
30.84	2.8990	1.4	(0,0,5)

Get direct link

Energy Properties

Formation Energy/atom

0.17139

eV/atom

Energy/atom

-3.87398

eV/atom

Energy above Hull

0.2306

eV/atom

Uncorrected Energy

-3.9192

eV/atom

Volume/atom

18.84

Å³

c/a Ratio

3.4884

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Total Mag. Moment

0.0008

μB

Mag. Ordering

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

Si · 0.636

Element Family

N/A

Solute Fraction

0.364

Interstitial Fraction

0.636

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.532

Family

Binary Alloy

Matrix Element

Si · 0.636

Related Tasks

Related computation task IDs (2)

aaacjdff aaadzkru

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1074228

Reference Citation

The crystal structure and related material properties of Mg4Si7 were obtained from the Materials Project database (MP-ID: mp-1074228, 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_Mg4Si7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24068800
_cell_length_b   6.75906551
_cell_length_c   14.79324621
_cell_angle_alpha   81.40976297
_cell_angle_beta   81.77950625
_cell_angle_gamma   85.87887986
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4Si7
_chemical_formula_sum   'Mg8 Si14'
_cell_volume   414.40248989
_cell_formula_units_Z   2
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  0.00000000  1.0
  Mg  Mg1  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg2  1  0.59144700  0.88091000  0.35127200  1.0
  Mg  Mg3  1  0.40855300  0.11909000  0.64872800  1.0
  Mg  Mg4  1  0.63531000  0.97830500  0.83793700  1.0
  Mg  Mg5  1  0.36469000  0.02169500  0.16206300  1.0
  Mg  Mg6  1  0.51959200  0.32774100  0.42305400  1.0
  Mg  Mg7  1  0.48040800  0.67225900  0.57694600  1.0
  Si  Si8  1  0.54295400  0.27988200  0.94022100  1.0
  Si  Si9  1  0.45704600  0.72011800  0.05977900  1.0
  Si  Si10  1  0.17690000  0.42866500  0.05395300  1.0
  Si  Si11  1  0.82310000  0.57133500  0.94604700  1.0
  Si  Si12  1  0.93240700  0.35589700  0.55545800  1.0
  Si  Si13  1  0.06759300  0.64410300  0.44454200  1.0
  Si  Si14  1  0.60340200  0.61857400  0.21439200  1.0
  Si  Si15  1  0.39659800  0.38142600  0.78560800  1.0
  Si  Si16  1  0.92927800  0.82739900  0.68221100  1.0
  Si  Si17  1  0.07072200  0.17260100  0.31778900  1.0
  Si  Si18  1  0.80706700  0.27531100  0.17883400  1.0
  Si  Si19  1  0.19293300  0.72468900  0.82116600  1.0
  Si  Si20  1  0.91057900  0.46666700  0.70290300  1.0
  Si  Si21  1  0.08942100  0.53333300  0.29709700  1.0

Get direct link