Mg7Co
传统材料 TRAMP-ID: mp-1016310 · Space group: P-6m2 (#187)
Basic Information
Formula
Mg7Co
MP-ID
mp-1016310
Elements
2
Sites
8
Density
2.3590
g/cm³
Volume
161.25
ų
Cell a
6.1613
Å
Cell b
6.1613
Å
Cell c
4.9048
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
hP
Stability
No
Packing Fraction
0.7405
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 23)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.61 | 5.3358 | 17.2 | (1,0,-1,0) |
| 18.09 | 4.9048 | 3.4 | (0,0,0,1) |
| 24.65 | 3.6110 | 7.1 | (1,0,-1,1) |
| 28.98 | 3.0806 | 3.5 | (2,-1,-1,0) |
| 33.59 | 2.6679 | 26.0 | (2,0,-2,0) |
| 34.38 | 2.6087 | 3.9 | (2,-1,-1,1) |
| 36.64 | 2.4524 | 25.5 | (0,0,0,2) |
| 38.41 | 2.3436 | 100.0 | (2,0,-2,1) |
| 40.48 | 2.2283 | 3.5 | (1,0,-1,2) |
| 47.38 | 1.9187 | 1.7 | (2,-1,-1,2) |
| 48.83 | 1.8652 | 5.1 | (3,-1,-2,1) |
| 50.55 | 1.8055 | 15.5 | (2,0,-2,2) |
| 54.91 | 1.6721 | 1.3 | (3,0,-3,1) |
| 60.07 | 1.5403 | 16.3 | (4,-2,-2,0) |
| 67.15 | 1.3940 | 17.5 | (2,0,-2,3) |
| 70.61 | 1.3340 | 2.6 | (4,0,-4,0) |
| 72.46 | 1.3044 | 17.8 | (4,-2,-2,2) |
| 73.58 | 1.2872 | 12.8 | (4,0,-4,1) |
| 74.75 | 1.2700 | 1.3 | (3,-1,-2,3) |
| 77.91 | 1.2262 | 2.5 | (0,0,0,4) |
| 82.28 | 1.1718 | 3.3 | (4,0,-4,2) |
| 87.57 | 1.1142 | 2.8 | (2,0,-2,4) |
| 89.48 | 1.0953 | 1.2 | (5,-2,-3,2) |
Energy Properties
Formation Energy/atom
0.12434
eV/atom
Energy/atom
-5.17808
eV/atom
Energy above Hull
0.1243
eV/atom
Uncorrected Energy
-2.1707
eV/atom
Volume/atom
20.16
ų
c/a Ratio
0.7961
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
1.1232
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.006970
μB/ų
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
A
Score
0.780
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1016310
Reference Citation
The crystal structure and related material properties of Mg7Co were obtained from the Materials Project database (MP-ID: mp-1016310, 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_Mg7Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16128000
_cell_length_b 6.16128000
_cell_length_c 4.90475300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg7Co
_chemical_formula_sum 'Mg7 Co1'
_cell_volume 161.24626540
_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 0.00053100 0.50026600 0.50000000 1.0
Mg Mg1 1 0.49973400 0.50026600 0.50000000 1.0
Mg Mg2 1 0.49973400 0.99946900 0.50000000 1.0
Mg Mg3 1 0.15631900 0.31263700 0.00000000 1.0
Mg Mg4 1 0.15631900 0.84368100 0.00000000 1.0
Mg Mg5 1 0.68736300 0.84368100 0.00000000 1.0
Mg Mg6 1 0.66666700 0.33333300 0.00000000 1.0
Co Co7 1 0.00000000 0.00000000 0.50000000 1.0
