Basic Information
Formula
MgCoGe
MP-ID
mp-1018808
Elements
3
Sites
6
Density
5.6898
g/cm³
Volume
90.99
ų
Cell a
3.8597
Å
Cell b
3.8597
Å
Cell c
6.1075
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P4/nmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
tP
Stability
Yes
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 |
|---|---|---|---|
| 14.50 | 6.1075 | 79.1 | (0,0,1) |
| 27.33 | 3.2628 | 43.5 | (1,0,1) |
| 29.25 | 3.0537 | 2.4 | (0,0,2) |
| 32.82 | 2.7292 | 7.9 | (1,1,0) |
| 36.04 | 2.4918 | 29.9 | (1,1,1) |
| 37.56 | 2.3948 | 13.5 | (1,0,2) |
| 44.50 | 2.0358 | 2.9 | (0,0,3) |
| 44.52 | 2.0350 | 100.0 | (1,1,2) |
| 47.09 | 1.9299 | 49.5 | (2,0,0) |
| 49.54 | 1.8402 | 12.7 | (2,0,1) |
| 50.70 | 1.8007 | 10.6 | (1,0,3) |
| 55.31 | 1.6611 | 12.2 | (2,1,1) |
| 56.38 | 1.6318 | 11.0 | (1,1,3) |
| 56.40 | 1.6314 | 1.7 | (2,0,2) |
| 60.65 | 1.5269 | 5.9 | (0,0,4) |
| 61.73 | 1.5027 | 6.0 | (2,1,2) |
| 65.77 | 1.4198 | 6.7 | (1,0,4) |
| 66.79 | 1.4006 | 3.0 | (2,0,3) |
| 68.80 | 1.3646 | 15.0 | (2,2,0) |
| 70.74 | 1.3318 | 4.0 | (2,2,1) |
| 71.68 | 1.3166 | 7.4 | (2,1,3) |
| 75.52 | 1.2589 | 2.4 | (3,0,1) |
| 78.27 | 1.2215 | 1.7 | (0,0,5) |
| 78.34 | 1.2206 | 1.4 | (3,1,0) |
Energy Properties
Formation Energy/atom
-0.22357
eV/atom
Energy/atom
-10.64875
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-10.6488
eV/atom
Volume/atom
15.16
ų
c/a Ratio
1.5824
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.000000
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.333
Element Family
Alkali-AlkEarth
Solute Fraction
0.667
Interstitial Fraction
0.000
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0986
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
9.1339
J/mol·K
Ω Parameter
0.4512
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
12.073%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.3040
smaller = more stable mixing
VEC
5.000
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-26.331
kJ/mol; negative = exothermic mixing
Entropy Norm
1.0000
SS Former
0
Phase Tendency
AM
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1018808
Reference Citation
The crystal structure and related material properties of MgCoGe were obtained from the Materials Project database (MP-ID: mp-1018808, 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_MgCoGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85971018
_cell_length_b 3.85971018
_cell_length_c 6.10747977
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgCoGe
_chemical_formula_sum 'Mg2 Co2 Ge2'
_cell_volume 90.98534116
_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 0.75000000 0.75000000 0.31738888 1.0
Mg Mg1 1 0.25000000 0.25000000 0.68261112 1.0
Co Co2 1 0.75000000 0.25000000 -0.00000000 1.0
Co Co3 1 0.25000000 0.75000000 -0.00000000 1.0
Ge Ge4 1 0.75000000 0.75000000 0.77561382 1.0
Ge Ge5 1 0.25000000 0.25000000 0.22438618 1.0
