Basic Information
Formula
HfMg6Co
MP-ID
mp-1022052
Elements
3
Sites
16
Density
3.9084
g/cm³
Volume
325.66
ų
Cell a
4.7964
Å
Cell b
6.0974
Å
Cell c
11.1355
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
Amm2
Point Group
mm2
Crystal System
Orthorhombic
Bravais Lattice
oC
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 |
|---|---|---|---|
| 15.92 | 5.5677 | 47.5 | (0,0,2) |
| 16.58 | 5.3481 | 100.0 | (0,1,1) |
| 18.50 | 4.7964 | 14.2 | (1,0,0) |
| 24.50 | 3.6339 | 21.2 | (1,0,2) |
| 24.94 | 3.5707 | 30.8 | (1,1,1) |
| 28.15 | 3.1705 | 19.5 | (0,1,3) |
| 29.29 | 3.0487 | 13.1 | (0,2,0) |
| 32.15 | 2.7839 | 4.0 | (0,0,4) |
| 33.51 | 2.6741 | 41.5 | (0,2,2) |
| 33.89 | 2.6449 | 27.1 | (1,1,3) |
| 34.87 | 2.5729 | 6.1 | (1,2,0) |
| 37.35 | 2.4077 | 55.8 | (1,0,4) |
| 37.50 | 2.3982 | 30.1 | (2,0,0) |
| 38.55 | 2.3356 | 62.0 | (1,2,2) |
| 40.98 | 2.2026 | 9.1 | (2,0,2) |
| 41.26 | 2.1883 | 20.6 | (2,1,1) |
| 43.25 | 2.0919 | 3.5 | (0,1,5) |
| 44.05 | 2.0558 | 3.9 | (0,2,4) |
| 45.36 | 1.9994 | 7.2 | (0,3,1) |
| 47.41 | 1.9175 | 17.7 | (1,1,5) |
| 47.54 | 1.9127 | 9.5 | (2,1,3) |
| 48.16 | 1.8895 | 13.1 | (1,2,4) |
| 48.28 | 1.8849 | 6.7 | (2,2,0) |
| 49.38 | 1.8455 | 5.8 | (1,3,1) |
Energy Properties
Formation Energy/atom
0.15930
eV/atom
Energy/atom
-3.19988
eV/atom
Energy above Hull
0.2944
eV/atom
Uncorrected Energy
-3.1999
eV/atom
Volume/atom
20.35
ų
c/a Ratio
2.3216
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
0.0809
μB
Mag. Ordering
FM
Mag. Sites
1
Magnetization/Volume
0.000250
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Mg · 0.750
Element Family
N/A
Solute Fraction
0.250
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.632
Family
Mg-based Alloy
Matrix Element
Mg · 0.750
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1022052
Reference Citation
The crystal structure and related material properties of HfMg6Co were obtained from the Materials Project database (MP-ID: mp-1022052, 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_HfMg6Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79637200
_cell_length_b 6.09736300
_cell_length_c 11.13546200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMg6Co
_chemical_formula_sum 'Hf2 Mg12 Co2'
_cell_volume 325.65904899
_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
Hf Hf0 1 0.50000000 0.50000000 0.19341500 1.0
Hf Hf1 1 0.50000000 0.00000000 0.69341500 1.0
Mg Mg2 1 0.00000000 0.74333200 0.08024700 1.0
Mg Mg3 1 0.00000000 0.25666800 0.08024700 1.0
Mg Mg4 1 0.00000000 0.00000000 0.32715700 1.0
Mg Mg5 1 0.50000000 0.25726400 0.42578800 1.0
Mg Mg6 1 0.50000000 0.74273600 0.42578800 1.0
Mg Mg7 1 0.50000000 0.00000000 0.16660200 1.0
Mg Mg8 1 0.00000000 0.24333200 0.58024700 1.0
Mg Mg9 1 0.00000000 0.75666800 0.58024700 1.0
Mg Mg10 1 0.00000000 0.50000000 0.82715700 1.0
Mg Mg11 1 0.50000000 0.75726400 0.92578800 1.0
Mg Mg12 1 0.50000000 0.24273600 0.92578800 1.0
Mg Mg13 1 0.50000000 0.50000000 0.66660200 1.0
Co Co14 1 0.00000000 0.50000000 0.30075500 1.0
Co Co15 1 0.00000000 0.00000000 0.80075500 1.0
