Mg4Zn7
Traditional Materials TRAMP-ID: mp-935148 · Space group: C2 (#5)
Basic Information
Formula
Mg4Zn7
MP-ID
mp-935148
Elements
2
Sites
55
Density
4.9027
g/cm³
Volume
940.03
ų
Cell a
13.1515
Å
Cell b
13.1515
Å
Cell c
14.1406
Å
α Angle
77.69
°
β Angle
77.69
°
γ Angle
23.19
°
Space Group
C2
Point Group
2
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 6.40 | 13.8015 | 14.2 | (0,0,1) |
| 7.03 | 12.5742 | 15.0 | (1,1,0) |
| 8.42 | 10.5026 | 13.4 | (1,1,1) |
| 10.50 | 8.4265 | 2.6 | (1,1,-1) |
| 12.83 | 6.9008 | 2.2 | (0,0,2) |
| 13.22 | 6.6955 | 4.7 | (1,1,2) |
| 14.09 | 6.2871 | 1.4 | (2,2,0) |
| 14.15 | 6.2584 | 6.3 | (2,2,1) |
| 16.88 | 5.2513 | 8.4 | (2,2,2) |
| 17.14 | 5.1737 | 6.5 | (1,0,0) |
| 18.04 | 4.9174 | 32.1 | (1,0,1) |
| 18.58 | 4.7747 | 18.9 | (1,0,-1) |
| 19.04 | 4.6601 | 18.2 | (1,1,3) |
| 19.29 | 4.6005 | 55.8 | (0,0,3) |
| 19.85 | 4.4718 | 10.8 | (2,1,0) |
| 20.15 | 4.4067 | 35.0 | (2,1,1) |
| 20.76 | 4.2778 | 37.0 | (3,3,1) |
| 20.99 | 4.2314 | 32.3 | (1,0,2) |
| 21.20 | 4.1914 | 33.1 | (3,3,0) |
| 21.31 | 4.1705 | 18.1 | (2,2,3) |
| 21.93 | 4.0533 | 7.7 | (1,0,-2) |
| 21.97 | 4.0456 | 28.8 | (1,1,-3) |
| 22.29 | 3.9882 | 5.3 | (3,3,2) |
| 22.40 | 3.9690 | 16.6 | (2,1,2) |
Energy Properties
Formation Energy/atom
-0.11907
eV/atom
Energy/atom
-1.51362
eV/atom
Energy above Hull
0.0078
eV/atom
Uncorrected Energy
-1.5136
eV/atom
Volume/atom
17.09
ų
c/a Ratio
1.0752
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0143
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000020
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.636
Element Family
N/A
Solute Fraction
0.364
Interstitial Fraction
0.000
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.890
Family
Zn-based Alloy
Matrix Element
Zn · 0.636
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-935148
Reference Citation
The crystal structure and related material properties of Mg4Zn7 were obtained from the Materials Project database (MP-ID: mp-935148, 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_Mg4Zn7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.15153151
_cell_length_b 13.15153151
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.19028142
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg4Zn7
_chemical_formula_sum 'Mg20 Zn35'
_cell_volume 940.02589769
_cell_formula_units_Z 5
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 0.12736900 0.12736900 0.89754100 1.0
Mg Mg1 1 0.96568500 0.96568500 0.71275000 1.0
Mg Mg2 1 0.69636700 0.69636700 0.35029400 1.0
Mg Mg3 1 0.55946300 0.55946300 0.95097000 1.0
Mg Mg4 1 0.51768100 0.51768100 0.60068800 1.0
Mg Mg5 1 0.21565300 0.21565300 0.02425100 1.0
Mg Mg6 1 0.64276800 0.64276800 0.57240600 1.0
Mg Mg7 1 0.44053700 0.44053700 0.04903000 1.0
Mg Mg8 1 0.17874000 0.17874000 0.67480200 1.0
Mg Mg9 1 0.48231900 0.48231900 0.39931200 1.0
Mg Mg10 1 0.30363300 0.30363300 0.64970600 1.0
Mg Mg11 1 0.82126000 0.82126000 0.32519800 1.0
Mg Mg12 1 0.99428000 0.99428000 0.90274200 1.0
Mg Mg13 1 0.16306900 0.16306900 0.25142000 1.0
Mg Mg14 1 0.83693100 0.83693100 0.74858000 1.0
Mg Mg15 1 0.35723200 0.35723200 0.42759400 1.0
Mg Mg16 1 0.87263100 0.87263100 0.10245900 1.0
Mg Mg17 1 0.78434700 0.78434700 0.97574900 1.0
Mg Mg18 1 0.03431500 0.03431500 0.28725000 1.0
Mg Mg19 1 0.00572000 0.00572000 0.09725800 1.0
Zn Zn20 1 0.07878500 0.07878500 0.59170500 1.0
Zn Zn21 1 0.48264700 0.48264700 0.81982800 1.0
Zn Zn22 1 0.74253300 0.74253300 0.66074000 1.0
Zn Zn23 1 0.17751100 0.68743000 0.24396100 1.0
Zn Zn24 1 0.65794600 0.17004300 0.57067900 1.0
Zn Zn25 1 0.31257000 0.82248900 0.75603900 1.0
Zn Zn26 1 0.50191900 0.00212900 0.49811700 1.0
Zn Zn27 1 0.92121500 0.92121500 0.40829500 1.0
Zn Zn28 1 0.31262600 0.31262600 0.85860300 1.0
Zn Zn29 1 0.82995700 0.34205400 0.42932100 1.0
Zn Zn30 1 0.47709500 0.98960900 0.82450500 1.0
Zn Zn31 1 0.67071100 0.67071100 0.96297800 1.0
Zn Zn32 1 0.16961400 0.16961400 0.46566400 1.0
Zn Zn33 1 0.59915700 0.59915700 0.26680600 1.0
Zn Zn34 1 0.51735300 0.51735300 0.18017200 1.0
Zn Zn35 1 0.68737400 0.68737400 0.14139700 1.0
Zn Zn36 1 0.87057500 0.34488500 0.10064900 1.0
Zn Zn37 1 0.17004300 0.65794600 0.57067900 1.0
Zn Zn38 1 0.68743000 0.17751100 0.24396100 1.0
Zn Zn39 1 0.83038600 0.83038600 0.53433600 1.0
Zn Zn40 1 0.12942500 0.65511500 0.89935100 1.0
Zn Zn41 1 0.34205400 0.82995700 0.42932100 1.0
Zn Zn42 1 0.99787100 0.49808100 0.50188300 1.0
Zn Zn43 1 0.65100000 0.65100000 0.78536900 1.0
Zn Zn44 1 0.98960900 0.47709500 0.82450500 1.0
Zn Zn45 1 0.34488500 0.87057500 0.10064900 1.0
Zn Zn46 1 0.34900000 0.34900000 0.21463100 1.0
Zn Zn47 1 0.65511500 0.12942500 0.89935100 1.0
Zn Zn48 1 0.40084300 0.40084300 0.73319400 1.0
Zn Zn49 1 0.01039100 0.52290500 0.17549500 1.0
Zn Zn50 1 0.82248900 0.31257000 0.75603900 1.0
Zn Zn51 1 0.00000000 0.00000000 0.50000000 1.0
Zn Zn52 1 0.52290500 0.01039100 0.17549500 1.0
Zn Zn53 1 0.32928900 0.32928900 0.03702200 1.0
Zn Zn54 1 0.25746700 0.25746700 0.33926000 1.0
