Basic Information
Formula
HfMg14Cu
MP-ID
mp-1026900
Elements
3
Sites
16
Density
2.7978
g/cm³
Volume
345.61
ų
Cell a
6.3276
Å
Cell b
6.2354
Å
Cell c
10.0663
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
119.52
°
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 |
|---|---|---|---|
| 8.78 | 10.0663 | 100.0 | (0,0,1) |
| 16.10 | 5.5063 | 26.5 | (1,0,0) |
| 16.34 | 5.4260 | 14.3 | (1,-1,0) |
| 17.62 | 5.0331 | 20.7 | (0,0,2) |
| 18.37 | 4.8308 | 36.9 | (1,0,1) |
| 18.58 | 4.7763 | 20.4 | (1,-1,1) |
| 23.95 | 3.7150 | 18.3 | (1,0,2) |
| 24.12 | 3.6900 | 12.1 | (1,-1,2) |
| 26.57 | 3.3554 | 5.5 | (0,0,3) |
| 28.21 | 3.1634 | 4.3 | (2,-1,0) |
| 28.63 | 3.1177 | 6.5 | (1,-2,0) |
| 29.60 | 3.0179 | 8.6 | (2,-1,1) |
| 30.01 | 2.9781 | 11.5 | (1,-2,1) |
| 31.22 | 2.8653 | 10.0 | (1,0,3) |
| 31.34 | 2.8538 | 7.9 | (1,-1,3) |
| 32.52 | 2.7531 | 12.6 | (2,0,0) |
| 33.02 | 2.7130 | 30.5 | (2,-2,0) |
| 33.46 | 2.6783 | 3.0 | (2,-1,2) |
| 33.46 | 2.6783 | 3.0 | (1,1,2) |
| 33.75 | 2.6556 | 7.5 | (2,0,1) |
| 33.82 | 2.6504 | 8.5 | (1,-2,2) |
| 34.23 | 2.6195 | 7.7 | (2,-2,1) |
| 34.23 | 2.6195 | 7.7 | (0,2,1) |
| 35.68 | 2.5166 | 34.8 | (0,0,4) |
Energy Properties
Formation Energy/atom
0.08517
eV/atom
Energy/atom
-2.22002
eV/atom
Energy above Hull
0.1094
eV/atom
Uncorrected Energy
-2.2200
eV/atom
Volume/atom
21.60
ų
c/a Ratio
1.5908
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
No
Total Mag. Moment
0.0000
μB
Mag. Ordering
NM
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 · 0.875
Element Family
N/A
Solute Fraction
0.125
Interstitial Fraction
0.000
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.790
Family
Mg-based Alloy
Matrix Element
Mg · 0.875
Related Tasks
Related computation task IDs (1)
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1026900
Reference Citation
The crystal structure and related material properties of HfMg14Cu were obtained from the Materials Project database (MP-ID: mp-1026900, 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_HfMg14Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32762684
_cell_length_b 6.23536640
_cell_length_c 10.06626476
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.51884443
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfMg14Cu
_chemical_formula_sum 'Hf1 Mg14 Cu1'
_cell_volume 345.61065069
_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
Hf Hf0 1 0.15114422 0.82557161 0.12500000 1.0
Mg Mg1 1 0.16622351 0.33311126 0.62500000 1.0
Mg Mg2 1 0.17089101 0.83544501 0.62500000 1.0
Mg Mg3 1 0.64944095 0.33507718 0.12500000 1.0
Mg Mg4 1 0.66603410 0.32938117 0.62500000 1.0
Mg Mg5 1 0.64944095 0.81436277 0.12500000 1.0
Mg Mg6 1 0.66603410 0.83665193 0.62500000 1.0
Mg Mg7 1 0.33082547 0.16664930 0.36676536 1.0
Mg Mg8 1 0.33082547 0.16664930 0.88323464 1.0
Mg Mg9 1 0.33082547 0.66417717 0.36676536 1.0
Mg Mg10 1 0.33082547 0.66417717 0.88323464 1.0
Mg Mg11 1 0.84698648 0.17349374 0.35731494 1.0
Mg Mg12 1 0.84698648 0.17349374 0.89268506 1.0
Mg Mg13 1 0.83935415 0.66967757 0.37721795 1.0
Mg Mg14 1 0.83935415 0.66967757 0.87278205 1.0
Cu Cu15 1 0.18480804 0.34240352 0.12500000 1.0
